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Mikhailova</a>, <a href="https://publications.waset.org/abstracts/search?q=Serguei%20V.%20Feskov"> Serguei V. Feskov</a>, <a href="https://publications.waset.org/abstracts/search?q=Anatoly%20I.%20Ivanov"> Anatoly I. Ivanov</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the last decade the nonequilibrium charge transfer have attracted considerable interest from the scientific community. Examples of such processes are the charge recombination in excited donor-acceptor complexes and the intramolecular electron transfer from the second excited electronic state. In these reactions the charge transfer proceeds predominantly in the nonequilibrium mode. In the excited donor-acceptor complexes the nuclear nonequilibrium is created by the pump pulse. The intramolecular electron transfer from the second excited electronic state is an example where the nuclear nonequilibrium is created by the forward electron transfer. The kinetics of these nonequilibrium reactions demonstrate a number of peculiar properties. Most important from them are: (i) the absence of the Marcus normal region in the free energy gap law for the charge recombination in excited donor-acceptor complexes, (ii) extremely low quantum yield of thermalized charge separated state in the ultrafast charge transfer from the second excited state, (iii) the nonexponential charge recombination dynamics in excited donor-acceptor complexes, (iv) the dependence of the charge transfer rate constant on the excitation pulse frequency. This report shows that most of these kinetic features can be well reproduced in the framework of stochastic point-transition multichannel model. The model involves an explicit description of the nonequilibrium excited state formation by the pump pulse and accounts for the reorganization of intramolecular high-frequency vibrational modes, for their relaxation as well as for the solvent relaxation. The model is able to quantitatively reproduce complex nonequilibrium charge transfer kinetics observed in modern experiments. The interpretation of the nonequilibrium effects from a unified point of view in the terms of the multichannel point transition stochastic model allows to see similarities and differences of electron transfer mechanism in various molecular donor-acceptor systems and formulates general regularities inherent in these phenomena. The nonequilibrium effects in photoinduced ultrafast charge transfer which have been studied for the last 10 years are analyzed. The methods of suppression of the ultrafast charge recombination, similarities and dissimilarities of electron transfer mechanism in different molecular donor-acceptor systems are discussed. The extremely low quantum yield of the thermalized charge separated state observed in the ultrafast charge transfer from the second excited state in the complex consisting of 1,2,4-trimethoxybenzene and tetracyanoethylene in acetonitrile solution directly demonstrates that its effectiveness can be close to unity. This experimental finding supports the idea that the nonequilibrium charge recombination in the excited donor-acceptor complexes can be also very effective so that the part of thermalized complexes is negligible. It is discussed the regularities inherent to the equilibrium and nonequilibrium reactions. Their fundamental differences are analyzed. Namely the opposite dependencies of the charge transfer rates on the dynamical properties of the solvent. The increase of the solvent viscosity results in decreasing the thermal rate and vice versa increasing the nonequilibrium rate. The dependencies of the rates on the solvent reorganization energy and the free energy gap also can considerably differ. This work was supported by the Russian Science Foundation (Grant No. 16-13-10122). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Charge%20recombination" title="Charge recombination">Charge recombination</a>, <a href="https://publications.waset.org/abstracts/search?q=higher%20excited%20states" title=" higher excited states"> higher excited states</a>, <a href="https://publications.waset.org/abstracts/search?q=free%20energy%20gap%20law" title=" free energy gap law"> free energy gap law</a>, <a href="https://publications.waset.org/abstracts/search?q=nonequilibrium" title=" nonequilibrium"> nonequilibrium</a> </p> <a href="https://publications.waset.org/abstracts/51761/nonequilibrium-effects-in-photoinduced-ultrafast-charge-transfer-reactions" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/51761.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">331</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3590</span> Synthesis and Spectrophotometric Study of Omeprazole Charge Transfer Complexes with Bromothymol Blue, Methyl Orange, and Picric Acid</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Saeeda%20Nadir%20Ali">Saeeda Nadir Ali</a>, <a href="https://publications.waset.org/abstracts/search?q=Najma%20Sultana"> Najma Sultana</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Saeed%20Arayne"> Muhammad Saeed Arayne</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Charge transfer complexes of omeprazole with bromothymol blue, methyl orange, and picric acid in the Beer’s law ranges 7-56, 6-48, and 10-80 µg mL-1, exhibiting stoichiometric ratio 1:1, and maximum wavelength 400, 420 and 373 nm respectively have been studied in aqueous medium. ICH guidelines were followed for validation study. Spectroscopic parameters including oscillator’s strength, dipole moment, ionization potential, energy of complexes, resonance energy, association constant and Gibb’s free energy changes have also been investigated and Benesi-Hildebrand plot in each case has been obtained. In addition, the methods were fruitfully employed for omeprazole determination in pharmaceutical formulations with no excipients obstruction during analysis. Solid omeprazole complexes with all the acceptors were synthesized and then structure was elucidated by IR and 1H NMR spectroscopy. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=omeprazole" title="omeprazole">omeprazole</a>, <a href="https://publications.waset.org/abstracts/search?q=bromothymol%20blue" title=" bromothymol blue"> bromothymol blue</a>, <a href="https://publications.waset.org/abstracts/search?q=methyl%20orange%20and%20picric%20acid" title=" methyl orange and picric acid"> methyl orange and picric acid</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer%20complexes" title=" charge transfer complexes"> charge transfer complexes</a> </p> <a href="https://publications.waset.org/abstracts/21749/synthesis-and-spectrophotometric-study-of-omeprazole-charge-transfer-complexes-with-bromothymol-blue-methyl-orange-and-picric-acid" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/21749.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">546</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3589</span> Design, Spectroscopic, Structural Characterization, and Biological Studies for New Complexes via Charge Transfer Interaction of Ciprofloxacin Drug With π Acceptors</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Khaled%20Alshammari">Khaled Alshammari</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=biological" title="biological">biological</a>, <a href="https://publications.waset.org/abstracts/search?q=biofilm" title=" biofilm"> biofilm</a>, <a href="https://publications.waset.org/abstracts/search?q=toxicity" title=" toxicity"> toxicity</a>, <a href="https://publications.waset.org/abstracts/search?q=thermal%20analysis" title=" thermal analysis"> thermal analysis</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title=" charge transfer"> charge transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=spectroscopy" title=" spectroscopy"> spectroscopy</a> </p> <a href="https://publications.waset.org/abstracts/184291/design-spectroscopic-structural-characterization-and-biological-studies-for-new-complexes-via-charge-transfer-interaction-of-ciprofloxacin-drug-with-p-acceptors" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/184291.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">64</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3588</span> Photoinduced Energy and Charge Transfer in InP Quantum Dots-Polymer/Metal Composites for Optoelectronic Devices</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Akanksha%20Singh">Akanksha Singh</a>, <a href="https://publications.waset.org/abstracts/search?q=Mahesh%20Kumar"> Mahesh Kumar</a>, <a href="https://publications.waset.org/abstracts/search?q=Shailesh%20N.%20Sharma"> Shailesh N. Sharma</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Semiconductor quantum dots (QDs) such as CdSe, CdS, InP, etc. have gained significant interest in the recent years due to its application in various fields such as LEDs, solar cells, lasers, biological markers, etc. The interesting feature of the QDs is their tunable band gap. The size of the QDs can be easily varied by varying the synthesis parameters which change the band gap. One of the limitations with II-VI semiconductor QDs is their biological application. The use of cadmium makes them unsuitable for biological applications. III-V QD such as InP overcomes this problem as they are structurally robust because of the covalent bonds which do not allow the ions to leak. Also, InP QDs has large Bohr radii which increase the window for the quantum confinement effect. The synthesis of InP QDs is difficult and time consuming. Authors have synthesized InP using a novel, quick synthesis method which utilizes trioctylphosphine as a source of phosphorus. In this work, authors have made InP composites with P3HT(Poly(3-hexylthiophene-2,5-diyl))polymer(organic-inorganic hybrid material) and gold nanoparticles(metal-semiconductor composites). InP-P3HT shows FRET phenomenon whereas InP-Au shows charge transfer mechanism. The synthesized InP QDs has an absorption band at 397 nm and PL peak position at 491 nm. The band gap of the InP QDs is 2.46 eV as compared to the bulk band gap of InP i.e. 1.35 eV. The average size of the QDs is around 3-4 nm. In order to protect the InP core, a shell of wide band gap material i.e. ZnS is coated on the top of InP core. InP-P3HT composites were made in order to study the charge transfer/energy transfer phenomenon between them. On adding aliquots of P3HT to InP QDs solution, the P3HT PL increases which can be attributed to the dominance of Förster energy transfer between InP QDs (donor) P3HT polymer (acceptor). There is a significant spectral overlap between the PL spectra of InP QDs and absorbance spectra of P3HT. But in the case of InP-Au nanocomposites, significant charge transfer was seen from InP QDs to Au NPs. When aliquots of Au NPs were added to InP QDs, a decrease in the PL of the InP QDs was observed. This is due to the charge transfer from the InP QDs to the Au NPs. In the case of metal semiconductor composites, the enhancement and quenching of QDs depend on the size of the QD and the distance between the QD and the metal NP. These two composites have different phenomenon between donor and acceptor and hence can be utilized for two different applications. The InP-P3HT composite can be utilized for LED devices due to enhancement in the PL emission (FRET). The InP-Au can be utilized efficiently for photovoltaic application owing to the successful charge transfer between InP-Au NPs. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title="charge transfer">charge transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=FRET" title=" FRET"> FRET</a>, <a href="https://publications.waset.org/abstracts/search?q=gold%20nanoparticles" title=" gold nanoparticles"> gold nanoparticles</a>, <a href="https://publications.waset.org/abstracts/search?q=InP%20quantum%20dots" title=" InP quantum dots "> InP quantum dots </a> </p> <a href="https://publications.waset.org/abstracts/77549/photoinduced-energy-and-charge-transfer-in-inp-quantum-dots-polymermetal-composites-for-optoelectronic-devices" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/77549.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">153</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3587</span> Controlled Doping of Graphene Monolayer</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Vedanki%20Khandenwal">Vedanki Khandenwal</a>, <a href="https://publications.waset.org/abstracts/search?q=Pawan%20Srivastava"> Pawan Srivastava</a>, <a href="https://publications.waset.org/abstracts/search?q=Kartick%20Tarafder"> Kartick Tarafder</a>, <a href="https://publications.waset.org/abstracts/search?q=Subhasis%20Ghosh"> Subhasis Ghosh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> We present here the experimental realization of controlled doping of graphene monolayers through charge transfer by trapping selected organic molecules between the graphene layer and underlying substrates. This charge transfer between graphene and trapped molecule leads to controlled n-type or p-type doping in monolayer graphene (MLG), depending on whether the trapped molecule acts as an electron donor or an electron acceptor. Doping controllability has been validated by a shift in corresponding Raman peak positions and a shift in Dirac points. In the transfer characteristics of field effect transistors, a significant shift of Dirac point towards positive or negative gate voltage region provides the signature of p-type or n-type doping of graphene, respectively, as a result of the charge transfer between graphene and the organic molecules trapped within it. In order to facilitate the charge transfer interaction, it is crucial for the trapped molecules to be situated in close proximity to the graphene surface, as demonstrated by findings in Raman and infrared spectroscopies. However, the mechanism responsible for this charge transfer interaction has remained unclear at the microscopic level. Generally, it is accepted that the dipole moment of adsorbed molecules plays a crucial role in determining the charge-transfer interaction between molecules and graphene. However, our findings clearly illustrate that the doping effect primarily depends on the reactivity of the constituent atoms in the adsorbed molecules rather than just their dipole moment. This has been illustrated by trapping various molecules at the graphene−substrate interface. Dopant molecules such as acetone (containing highly reactive oxygen atoms) promote adsorption across the entire graphene surface. In contrast, molecules with less reactive atoms, such as acetonitrile, tend to adsorb at the edges due to the presence of reactive dangling bonds. In the case of low-dipole moment molecules like toluene, there is a lack of substantial adsorption anywhere on the graphene surface. Observation of (i) the emergence of the Raman D peak exclusively at the edges for trapped molecules without reactive atoms and throughout the entire basal plane for those with reactive atoms, and (ii) variations in the density of attached molecules (with and without reactive atoms) to graphene with their respective dipole moments provides compelling evidence to support our claim. Additionally, these observations were supported by first principle density functional calculations. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=graphene" title="graphene">graphene</a>, <a href="https://publications.waset.org/abstracts/search?q=doping" title=" doping"> doping</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title=" charge transfer"> charge transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=liquid%20phase%20exfoliation" title=" liquid phase exfoliation"> liquid phase exfoliation</a> </p> <a href="https://publications.waset.org/abstracts/175625/controlled-doping-of-graphene-monolayer" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/175625.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">70</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3586</span> X-Ray and DFT Electrostatics Parameters Determination of a Coumarin Derivative Compound C17H13NO3</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Y.%20Megrous">Y. Megrous</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Chouaih"> A. Chouaih</a>, <a href="https://publications.waset.org/abstracts/search?q=F.%20Hamzaoui"> F. Hamzaoui </a> </p> <p class="card-text"><strong>Abstract:</strong></p> The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=electron%20charge%20density" title="electron charge density">electron charge density</a>, <a href="https://publications.waset.org/abstracts/search?q=net%20atomic%20charge" title=" net atomic charge"> net atomic charge</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dipole%20moment" title=" molecular dipole moment"> molecular dipole moment</a>, <a href="https://publications.waset.org/abstracts/search?q=X-ray%20diffraction" title=" X-ray diffraction"> X-ray diffraction</a> </p> <a href="https://publications.waset.org/abstracts/24669/x-ray-and-dft-electrostatics-parameters-determination-of-a-coumarin-derivative-compound-c17h13no3" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/24669.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">466</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3585</span> Estimation of the State of Charge of the Battery Using EFK and Sliding Mode Observer in MATLAB-Arduino/Labview</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mouna%20Abarkan">Mouna Abarkan</a>, <a href="https://publications.waset.org/abstracts/search?q=Abdelillah%20Byou"> Abdelillah Byou</a>, <a href="https://publications.waset.org/abstracts/search?q=Nacer%20M%27Sirdi"> Nacer M'Sirdi</a>, <a href="https://publications.waset.org/abstracts/search?q=El%20Hossain%20Abarkan"> El Hossain Abarkan</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This paper presents the estimation of the state of charge of the battery using two types of observers. The battery model used is the combination of a voltage source, which is the open circuit battery voltage of a strength corresponding to the connection of resistors and electrolyte and a series of parallel RC circuits representing charge transfer phenomena and diffusion. An adaptive observer applied to this model is proposed, this observer to estimate the battery state of charge of the battery is based on EFK and sliding mode that is known for their robustness and simplicity implementation. The results are validated by simulation under MATLAB/Simulink and implemented in Arduino-LabView. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=model%20of%20the%20battery" title="model of the battery">model of the battery</a>, <a href="https://publications.waset.org/abstracts/search?q=adaptive%20sliding%20mode%20observer" title=" adaptive sliding mode observer"> adaptive sliding mode observer</a>, <a href="https://publications.waset.org/abstracts/search?q=the%20EFK%20observer" title=" the EFK observer"> the EFK observer</a>, <a href="https://publications.waset.org/abstracts/search?q=estimation%20of%20state%20of%20charge" title=" estimation of state of charge"> estimation of state of charge</a>, <a href="https://publications.waset.org/abstracts/search?q=SOC" title=" SOC"> SOC</a>, <a href="https://publications.waset.org/abstracts/search?q=implementation%20in%20Arduino%2FLabView" title=" implementation in Arduino/LabView"> implementation in Arduino/LabView</a> </p> <a href="https://publications.waset.org/abstracts/88834/estimation-of-the-state-of-charge-of-the-battery-using-efk-and-sliding-mode-observer-in-matlab-arduinolabview" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/88834.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">311</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3584</span> Co-Precipitation Method for the Fabrication of Charge-Transfer Molecular Crystal Nanocapsules</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Rabih%20Al-Kaysi">Rabih Al-Kaysi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> When quasi-stable solutions of 9-methylanthracene (pi-electron donor, 0.0005 M) and 1,2,4,5-Tetracyanobenzene (pi-electron acceptor, 0.0005 M) in aqueous sodium dodecyl sulfate (SDS, 0.025 M) were gently mixed, uniform-shaped rectangular charge-transfer nanocrystals precipitated out. These red colored charge-transfer (CT) crystals were composed of a 1:1-mole ratio of acceptor/ donor and are highly insoluble in water/SDS solution. The rectangular crystals morphology is semi hollow with symmetrical twin pockets reminiscent of nanocapsules. For a typical crop of nanocapsules, the dimensions are 21 x 6 x 0.5 microns with an approximate hollow volume of 1.5 x 105 nm3. By varying the concentration of aqueous SDS, mixing duration and incubation temperature, we can control the size and volume of the nanocapsules. The initial number of CT seed nanoparticles, formed by mixing the D and A solutions, determined the number and dimensions of the obtained nanocapsules formed after several hours of incubation under still conditions. Prolonged mixing of the donor and acceptor solutions resulted in plenty of initial seeds hence smaller nanocapsules. Short mixing times yields less seed formation and larger micron-sized capsules. The addition of Doxorubicin in situ with the quasi-stable solutions while mixing leads to the formation of CT nanocapsules with Doxorubicin sealed inside. The Doxorubicin can be liberated from the nanocapsules by cracking them using ultrasonication. This method can be extended to other binary CT complex crystals as well. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge-transfer" title="charge-transfer">charge-transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=nanocapsules" title=" nanocapsules"> nanocapsules</a>, <a href="https://publications.waset.org/abstracts/search?q=nanocrystals" title=" nanocrystals"> nanocrystals</a>, <a href="https://publications.waset.org/abstracts/search?q=doxorubicin" title=" doxorubicin"> doxorubicin</a> </p> <a href="https://publications.waset.org/abstracts/70802/co-precipitation-method-for-the-fabrication-of-charge-transfer-molecular-crystal-nanocapsules" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/70802.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">218</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3583</span> Entropically Favoured Through Space Charge Transfer ‘Lighted’ Photosensitizing Assemblies for ‘Metal Free’ Regulated Photooxidation of Alcohols and Aldehydes</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Gurpreet%20Kaur">Gurpreet Kaur</a>, <a href="https://publications.waset.org/abstracts/search?q=Manoj%20Kumar"> Manoj Kumar</a>, <a href="https://publications.waset.org/abstracts/search?q=Vandana%20Bhalla"> Vandana Bhalla</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Strong acceptor-weak acceptor system FN-TPy has been designed and synthesized which undergoes solvent dependent self-assembly in mixed aqueous media to generate through space intermolecular charge transfer assemblies. The as prepared entropically favoured assemblies of FN-TPy exhibit excellent photostability and photosensitizing properties in the assembled state to activate aerial oxygen for efficient generation of reactive oxygen species (ROS) through Type-I and Type-II pathways. The FN-TPy assemblies exhibit excellent potential for regulated oxidation of alcohols and aldehydes under mild reaction conditions (visible light irradiation, aqueous media, room temperature) using aerial oxygen as the ‘oxidant’. The present study demonstrates the potential of FN-TPy assemblies to catalyze controlled oxidation of benzyl alcohol to benzaldehyde and to corresponding benzoic acid. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=oxidations" title="oxidations">oxidations</a>, <a href="https://publications.waset.org/abstracts/search?q=photosensitizer" title=" photosensitizer"> photosensitizer</a>, <a href="https://publications.waset.org/abstracts/search?q=reactive%20oxygen%20species" title=" reactive oxygen species"> reactive oxygen species</a>, <a href="https://publications.waset.org/abstracts/search?q=supramolecular%20assemblies" title=" supramolecular assemblies"> supramolecular assemblies</a>, <a href="https://publications.waset.org/abstracts/search?q=through%20space%20charge%20transfer." title=" through space charge transfer."> through space charge transfer.</a> </p> <a href="https://publications.waset.org/abstracts/150684/entropically-favoured-through-space-charge-transfer-lighted-photosensitizing-assemblies-for-metal-free-regulated-photooxidation-of-alcohols-and-aldehydes" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/150684.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">123</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3582</span> Computational Characterization of Electronic Charge Transfer in Interfacial Phospholipid-Water Layers</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Samira%20Baghbanbari">Samira Baghbanbari</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20B.%20P.%20Lever"> A. B. P. Lever</a>, <a href="https://publications.waset.org/abstracts/search?q=Payam%20S.%20Shabestari"> Payam S. Shabestari</a>, <a href="https://publications.waset.org/abstracts/search?q=Donald%20Weaver"> Donald Weaver</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Existing signal transmission models, although undoubtedly useful, have proven insufficient to explain the full complexity of information transfer within the central nervous system. The development of transformative models will necessitate a more comprehensive understanding of neuronal lipid membrane electrophysiology. Pursuant to this goal, the role of highly organized interfacial phospholipid-water layers emerges as a promising case study. A series of phospholipids in neural-glial gap junction interfaces as well as cholesterol molecules have been computationally modelled using high-performance density functional theory (DFT) calculations. Subsequent 'charge decomposition analysis' calculations have revealed a net transfer of charge from phospholipid orbitals through the organized interfacial water layer before ultimately finding its way to cholesterol acceptor molecules. The specific pathway of charge transfer from phospholipid via water layers towards cholesterol has been mapped in detail. Cholesterol is an essential membrane component that is overrepresented in neuronal membranes as compared to other mammalian cells; given this relative abundance, its apparent role as an electronic acceptor may prove to be a relevant factor in further signal transmission studies of the central nervous system. The timescales over which this electronic charge transfer occurs have also been evaluated by utilizing a system design that systematically increases the number of water molecules separating lipids and cholesterol. Memory loss through hydrogen-bonded networks in water can occur at femtosecond timescales, whereas existing action potential-based models are limited to micro or nanosecond scales. As such, the development of future models that attempt to explain faster timescale signal transmission in the central nervous system may benefit from our work, which provides additional information regarding fast timescale energy transfer mechanisms occurring through interfacial water. The study possesses a dataset that includes six distinct phospholipids and a collection of cholesterol. Ten optimized geometric characteristics (features) were employed to conduct binary classification through an artificial neural network (ANN), differentiating cholesterol from the various phospholipids. This stems from our understanding that all lipids within the first group function as electronic charge donors, while cholesterol serves as an electronic charge acceptor. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title="charge transfer">charge transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=signal%20transmission" title=" signal transmission"> signal transmission</a>, <a href="https://publications.waset.org/abstracts/search?q=phospholipids" title=" phospholipids"> phospholipids</a>, <a href="https://publications.waset.org/abstracts/search?q=water%20layers" title=" water layers"> water layers</a>, <a href="https://publications.waset.org/abstracts/search?q=ANN" title=" ANN"> ANN</a> </p> <a href="https://publications.waset.org/abstracts/175684/computational-characterization-of-electronic-charge-transfer-in-interfacial-phospholipid-water-layers" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/175684.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">81</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3581</span> Electron Density Analysis and Nonlinear Optical Properties of Zwitterionic Compound </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=A.%20Chouaih">A. Chouaih</a>, <a href="https://publications.waset.org/abstracts/search?q=N.%20Benhalima"> N. Benhalima</a>, <a href="https://publications.waset.org/abstracts/search?q=N.%20Boukabcha"> N. Boukabcha</a>, <a href="https://publications.waset.org/abstracts/search?q=R.%20Rahmani"> R. Rahmani</a>, <a href="https://publications.waset.org/abstracts/search?q=F.%20Hamzaoui"> F. Hamzaoui</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=organic%20compounds" title="organic compounds">organic compounds</a>, <a href="https://publications.waset.org/abstracts/search?q=polarizability" title=" polarizability"> polarizability</a>, <a href="https://publications.waset.org/abstracts/search?q=hyperpolarizability" title=" hyperpolarizability"> hyperpolarizability</a>, <a href="https://publications.waset.org/abstracts/search?q=dipole%20moment" title=" dipole moment"> dipole moment</a> </p> <a href="https://publications.waset.org/abstracts/26077/electron-density-analysis-and-nonlinear-optical-properties-of-zwitterionic-compound" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/26077.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">424</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3580</span> Implementation of 4-Bit Direct Charge Transfer Switched Capacitor DAC with Mismatch Shaping Technique</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Anuja%20Askhedkar">Anuja Askhedkar</a>, <a href="https://publications.waset.org/abstracts/search?q=G.%20H.%20Agrawal"> G. H. Agrawal</a>, <a href="https://publications.waset.org/abstracts/search?q=Madhu%20Gudgunti"> Madhu Gudgunti</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Direct Charge Transfer Switched Capacitor (DCT-SC) DAC is the internal DAC used in Delta-Sigma (∆∑) DAC which works on Over-Sampling concept. The Switched Capacitor DAC mainly suffers from mismatch among capacitors. Mismatch among capacitors in DAC, causes non linearity between output and input. Dynamic Element Matching (DEM) technique is used to match the capacitors. According to element selection logic there are many types. In this paper, Data Weighted Averaging (DWA) technique is used for mismatch shaping. In this paper, the 4 bit DCT-SC-DAC with DWA-DEM technique is implemented using WINSPICE simulation software in 180nm CMOS technology. DNL for DAC with DWA is ±0.03 LSB and INL is ± 0.02LSB. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=%E2%88%91-%CE%94%20DAC" title="∑-Δ DAC">∑-Δ DAC</a>, <a href="https://publications.waset.org/abstracts/search?q=DCT-SC-DAC" title=" DCT-SC-DAC"> DCT-SC-DAC</a>, <a href="https://publications.waset.org/abstracts/search?q=mismatch%20shaping" title=" mismatch shaping"> mismatch shaping</a>, <a href="https://publications.waset.org/abstracts/search?q=DWA" title=" DWA"> DWA</a>, <a href="https://publications.waset.org/abstracts/search?q=DEM" title=" DEM"> DEM</a> </p> <a href="https://publications.waset.org/abstracts/15921/implementation-of-4-bit-direct-charge-transfer-switched-capacitor-dac-with-mismatch-shaping-technique" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/15921.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">357</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3579</span> Electronic States at SnO/SnO2 Heterointerfaces</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=A.%20Albar">A. Albar</a>, <a href="https://publications.waset.org/abstracts/search?q=U.%20Schwingenschlogel"> U. Schwingenschlogel</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=density%20of%20states" title="density of states">density of states</a>, <a href="https://publications.waset.org/abstracts/search?q=ab-initio%20calculations" title=" ab-initio calculations"> ab-initio calculations</a>, <a href="https://publications.waset.org/abstracts/search?q=interface%20states" title=" interface states"> interface states</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title=" charge transfer"> charge transfer</a> </p> <a href="https://publications.waset.org/abstracts/1949/electronic-states-at-snosno2-heterointerfaces" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/1949.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">422</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3578</span> Modulating Photoelectrochemical Water-Splitting Activity by Charge-Storage Capacity of Electrocatalysts</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Yawen%20Dai">Yawen Dai</a>, <a href="https://publications.waset.org/abstracts/search?q=Ping%20Cheng"> Ping Cheng</a>, <a href="https://publications.waset.org/abstracts/search?q=Jian%20Ru%20Gong"> Jian Ru Gong</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Photoelctrochemical (PEC) water splitting using semiconductors (SCs) provides a convenient way to convert sustainable but intermittent solar energy into clean hydrogen energy, and it has been regarded as one of most promising technology to solve the energy crisis and environmental pollution in modern society. However, the record energy conversion efficiency of a PEC cell (~3%) is still far lower than the commercialization requirement (~10%). The sluggish kinetics of oxygen evolution reaction (OER) half reaction on photoanodes is a significant limiting factor of the PEC device efficiency, and electrocatalysts (ECs) are always deposited on SCs to accelerate the hole injection for OER. However, an active EC cannot guarantee enhanced PEC performance, since the newly emerged SC-EC interface complicates the interfacial charge behavior. Herein, α-Fe2O3 photoanodes coated with Co3O4 and CoO ECs are taken as the model system to glean fundamental understanding on the EC-dependent interfacial charge behavior. Intensity modulated photocurrent spectroscopy and electrochemical impedance spectroscopy were used to investigate the competition between interfacial charge transfer and recombination, which was found to be dominated by the charge storage capacities of ECs. The combined results indicate that both ECs can store holes and increase the hole density on photoanode surface. It is like a double-edged sword that benefit the multi-hole participated OER, as well as aggravate the SC-EC interfacial charge recombination due to the Coulomb attraction, thus leading to a nonmonotonic PEC performance variation trend with the increasing surface hole density. Co3O4 has low hole storage capacity which brings limited interfacial charge recombination, and thus the increased surface holes can be efficiently utilized for OER to generate enhanced photocurrent. In contrast, CoO has overlarge hole storage capacity that causes severe interfacial charge recombination, which hinders hole transfer to electrolyte for OER. Therefore, the PEC performance of α-Fe2O3 is improved by Co3O4 but decreased by CoO despite the similar electrocatalytic activity of the two ECs. First-principle calculation was conducted to further reveal how the charge storage capacity depends on the EC’s intrinsic property, demonstrating that the larger hole storage capacity of CoO than that of Co3O4 is determined by their Co valence states and original Fermi levels. This study raises up a new strategy to manipulate interfacial charge behavior and the resultant PEC performance by the charge storage capacity of ECs, providing insightful guidance for the interface design in PEC devices. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20storage%20capacity" title="charge storage capacity">charge storage capacity</a>, <a href="https://publications.waset.org/abstracts/search?q=electrocatalyst" title=" electrocatalyst"> electrocatalyst</a>, <a href="https://publications.waset.org/abstracts/search?q=interfacial%20charge%20behavior" title=" interfacial charge behavior"> interfacial charge behavior</a>, <a href="https://publications.waset.org/abstracts/search?q=photoelectrochemistry" title=" photoelectrochemistry"> photoelectrochemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=water-splitting" title=" water-splitting"> water-splitting</a> </p> <a href="https://publications.waset.org/abstracts/117739/modulating-photoelectrochemical-water-splitting-activity-by-charge-storage-capacity-of-electrocatalysts" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/117739.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">146</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3577</span> Effect of Electropolymerization Method in the Charge Transfer Properties and Photoactivity of Polyaniline Photoelectrodes</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Alberto%20Enrique%20Molina%20Lozano">Alberto Enrique Molina Lozano</a>, <a href="https://publications.waset.org/abstracts/search?q=Mar%C3%ADa%20Teresa%20Cort%C3%A9s%20Monta%C3%B1ez"> María Teresa Cortés Montañez</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Polyaniline (PANI) photoelectrodes were electrochemically synthesized through electrodeposition employing three techniques: chronoamperometry (CA), cyclic voltammetry (CV), and potential pulse (PP) methods. The substrate used for electrodeposition was a fluorine-doped tin oxide (FTO) glass with dimensions of 2.5 cm x 1.3 cm. Subsequently, structural and optical characterization was conducted utilizing Fourier-transform infrared (FTIR) spectroscopy and UV-visible (UV-vis) spectroscopy, respectively. The FTIR analysis revealed variations in the molar ratio of benzenoid to quinonoid rings within the PANI polymer matrix, indicative of differing oxidation states arising from the distinct electropolymerization methodologies employed. In the optical characterization, differences in the energy band gap (Eg) values and positions of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) were observed, attributable to variations in doping levels and structural irregularities introduced during the electropolymerization procedures. To assess the charge transfer properties of the PANI photoelectrodes, electrochemical impedance spectroscopy (EIS) experiments were carried out within a 0.1 M sodium sulfate (Na₂SO₄) electrolyte. The results displayed a substantial decrease in charge transfer resistance with the PANI coatings compared to uncoated substrates, with PANI obtained through cyclic voltammetry (CV) presenting the lowest charge transfer resistance, contrasting PANI obtained via chronoamperometry (CA) and potential pulses (PP). Subsequently, the photoactive response of the PANI photoelectrodes was measured through linear sweep voltammetry (LSV) and chronoamperometry. The photoelectrochemical measurements revealed a discernible photoactivity in all PANI-coated electrodes. However, PANI electropolymerized through CV displayed the highest photocurrent. Interestingly, PANI derived from chronoamperometry (CA) exhibited the highest degree of stable photocurrent over an extended temporal interval. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=PANI" title="PANI">PANI</a>, <a href="https://publications.waset.org/abstracts/search?q=photocurrent" title=" photocurrent"> photocurrent</a>, <a href="https://publications.waset.org/abstracts/search?q=photoresponse" title=" photoresponse"> photoresponse</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20separation" title=" charge separation"> charge separation</a>, <a href="https://publications.waset.org/abstracts/search?q=recombination" title=" recombination"> recombination</a> </p> <a href="https://publications.waset.org/abstracts/182015/effect-of-electropolymerization-method-in-the-charge-transfer-properties-and-photoactivity-of-polyaniline-photoelectrodes" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/182015.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">70</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3576</span> Theoretical Study on the Visible-Light-Induced Radical Coupling Reactions Mediated by Charge Transfer Complex</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Lishuang%20%20Ma">Lishuang Ma</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Charge transfer (CT) complex, also known as Electron donor-acceptor (EDA) complex, has received attentions increasingly in the field of synthetic chemistry community, due to the CT complex can absorb the visible light through the intermolecular charge transfer excited states, various of catalyst-free photochemical transformations under mild visible-light conditions. However, a number of fundamental questions are still ambiguous, such as the origin of visible light absorption, the photochemical and photophysical properties of the CT complex, as well as the detailed mechanism of the radical coupling pathways mediated by CT complex. Since these are critical factors for target-specific design and synthesis of more new-type CT complexes. To this end, theoretical investigations were performed in our group to answer these questions based on multiconfigurational perturbation theory. The photo-induced fluoroalkylation reactions are mediated by CT complexes, which are formed by the association of an acceptor of perfluoroalkyl halides RF−X (X = Br, I) and a suitable donor molecule such as β-naphtholate anion, were chosen as a paradigm example in this work. First, spectrum simulations were carried out by both CASPT2//CASSCF/PCM and TD-DFT/PCM methods. The computational results showed that the broadening spectra in visible light range (360-550nm) of the CT complexes originate from the 1(σπ*) excitation, accompanied by an intermolecular electron transfer, which was also found closely related to the aggregate states of the donor and acceptor. Moreover, from charge translocation analysis, the CT complex that showed larger charge transfer in the round state would exhibit smaller charge transfer in excited stated of 1(σπ*), causing blue shift relatively. Then, the excited-state potential energy surface (PES) was calculated at CASPT2//CASSCF(12,10)/ PCM level of theory to explore the photophysical properties of the CT complexes. The photo-induced C-X (X=I, Br) bond cleavage was found to occur in the triplet state, which is accessible through a fast intersystem crossing (ISC) process that is controlled by the strong spin-orbit coupling resulting from the heavy iodine and bromine atoms. Importantly, this rapid fragmentation process can compete and suppress the backward electron transfer (BET) event, facilitating the subsequent effective photochemical transformations. Finally, the reaction pathways of the radical coupling were also inspected, which showed that the radical chain propagation pathway could easy to accomplish with a small energy barrier no more than 3.0 kcal/mol, which is the key factor that promote the efficiency of the photochemical reactions induced by CT complexes. In conclusion, theoretical investigations were performed to explore the photophysical and photochemical properties of the CT complexes, as well as the mechanism of radical coupling reactions mediated by CT complex. The computational results and findings in this work can provide some critical insights into mechanism-based design for more new-type EDA complexes <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer%20complex" title="charge transfer complex">charge transfer complex</a>, <a href="https://publications.waset.org/abstracts/search?q=electron%20transfer" title=" electron transfer"> electron transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=multiconfigurational%20perturbation%20theory" title=" multiconfigurational perturbation theory"> multiconfigurational perturbation theory</a>, <a href="https://publications.waset.org/abstracts/search?q=radical%20coupling" title=" radical coupling"> radical coupling</a> </p> <a href="https://publications.waset.org/abstracts/136023/theoretical-study-on-the-visible-light-induced-radical-coupling-reactions-mediated-by-charge-transfer-complex" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/136023.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">148</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3575</span> Synthesis and Characterization of Nickel and Sulphur Sensitized Zinc Oxide Structures</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ella%20C.%20Linganiso">Ella C. Linganiso</a>, <a href="https://publications.waset.org/abstracts/search?q=Bonex%20W.%20Mwakikunga"> Bonex W. Mwakikunga</a>, <a href="https://publications.waset.org/abstracts/search?q=Trilock%20Singh"> Trilock Singh</a>, <a href="https://publications.waset.org/abstracts/search?q=Sanjay%20Mathur"> Sanjay Mathur</a>, <a href="https://publications.waset.org/abstracts/search?q=Odireleng%20M.%20Ntwaeaborwa"> Odireleng M. Ntwaeaborwa</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The use of nanostructured semiconducting material to catalyze degradation of environmental pollutants still receives much attention to date. One of the desired characteristics for pollutant degradation under ultra-violet visible light is the materials with extended carrier charge separation that allows for electronic transfer between the catalyst and the pollutants. In this work, zinc oxide n-type semiconductor vertically aligned structures were fabricated on silicon (100) substrates using the chemical bath deposition method. The as-synthesized structures were treated with nickel and sulphur. X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy were used to characterize the phase purity, structural dimensions and elemental composition of the obtained structures respectively. Photoluminescence emission measurements showed a decrease in both the near band edge emission as well as the defect band emission upon addition of nickel and sulphur with different concentrations. This was attributed to increased charger-carrier-separation due to the presence of Ni-S material on ZnO surface, which is linked to improved charge transfer during photocatalytic reactions. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Carrier-charge-separation" title="Carrier-charge-separation">Carrier-charge-separation</a>, <a href="https://publications.waset.org/abstracts/search?q=nickel" title=" nickel"> nickel</a>, <a href="https://publications.waset.org/abstracts/search?q=photoluminescence" title=" photoluminescence"> photoluminescence</a>, <a href="https://publications.waset.org/abstracts/search?q=sulphur" title=" sulphur"> sulphur</a>, <a href="https://publications.waset.org/abstracts/search?q=zinc%20oxide" title=" zinc oxide"> zinc oxide</a> </p> <a href="https://publications.waset.org/abstracts/78239/synthesis-and-characterization-of-nickel-and-sulphur-sensitized-zinc-oxide-structures" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/78239.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">314</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3574</span> Investigating the Difference in Stability of Various Isomeric Hydrogen Bonded Dimers</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Ayoub">Mohamed Ayoub</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The structures and energetics of various isomeric hydrogen bonded dimers, such as (FH…OC, FH…CO), (FH…CNH, FH…NCH), (FH…N2O, FH…ON2), and (FH…NHCO, FH…OCNH) have been investigated using DFT B3LYP with aug-cc-pVTZ basis set and by natural bond orbital (NBO) analysis. For each isomeric pair we calculated: H-bond energy (ΔEB…H), charge-transfer (QCT), where B is atom bearing lone-pairs in CO, CNH, NCH, N2O, and NHCO, H-bond distances (RB…H), the elongation of HF bond (ΔRHF) and the red-shift of HF stretching frequency (ΔVHF). We conclude that the principle difference in the relative stability between each isomeric pair is attributed to distinctive interaction of carbon and oxygen lone pairs of CO, carbon and nitrogen lone-pairs of CNH and NCH, and nitrogen and oxygen lone pairs of N2O and NHCO into the unfilled antibond on HF (σ*HF). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20transfer" title="charge transfer">charge transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=computational%20chemistry" title=" computational chemistry"> computational chemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=isomeric%20hydrogen%20bond" title=" isomeric hydrogen bond"> isomeric hydrogen bond</a>, <a href="https://publications.waset.org/abstracts/search?q=natural%20bond%20orbital" title=" natural bond orbital "> natural bond orbital </a> </p> <a href="https://publications.waset.org/abstracts/37558/investigating-the-difference-in-stability-of-various-isomeric-hydrogen-bonded-dimers" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/37558.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">253</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3573</span> Optimized Design, Material Selection, and Improvement of Liners, Mother Plate, and Stone Box of a Direct Charge Transfer Chute in a Sinter Plant: A Computational Approach</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Anamitra%20Ghosh">Anamitra Ghosh</a>, <a href="https://publications.waset.org/abstracts/search?q=Neeladri%20Paul"> Neeladri Paul</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The present work aims at investigating material combinations and thereby improvising an optimized design of liner-mother plate arrangement and that of the stone box, such that it has low cost, high weldability, sufficiently capable of withstanding the increased amount of corrosive shear and bending loads, and having reduced thermal expansion coefficient at temperatures close to 1000 degrees Celsius. All the above factors have been preliminarily examined using a computational approach via ANSYS Thermo-Structural Computation, a commercial software that uses the Finite Element Method to analyze the response of simulated design specimens of liner-mother plate arrangement and the stone box, to varied bending, shear, and thermal loads as well as to determine the temperature gradients developed across various surfaces of the designs. Finally, the optimized structural designs of the liner-mother plate arrangement and that of the stone box with improved material and better structural and thermal properties are selected via trial-and-error method. The final improvised design is therefore considered to enhance the overall life and reliability of a Direct Charge Transfer Chute that transfers and segregates the hot sinter onto the cooler in a sinter plant. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=shear" title="shear">shear</a>, <a href="https://publications.waset.org/abstracts/search?q=bending" title=" bending"> bending</a>, <a href="https://publications.waset.org/abstracts/search?q=thermal" title=" thermal"> thermal</a>, <a href="https://publications.waset.org/abstracts/search?q=sinter" title=" sinter"> sinter</a>, <a href="https://publications.waset.org/abstracts/search?q=simulated" title=" simulated"> simulated</a>, <a href="https://publications.waset.org/abstracts/search?q=optimized" title=" optimized"> optimized</a>, <a href="https://publications.waset.org/abstracts/search?q=charge" title=" charge"> charge</a>, <a href="https://publications.waset.org/abstracts/search?q=transfer" title=" transfer"> transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=chute" title=" chute"> chute</a>, <a href="https://publications.waset.org/abstracts/search?q=expansion" title=" expansion"> expansion</a>, <a href="https://publications.waset.org/abstracts/search?q=computational" title=" computational"> computational</a>, <a href="https://publications.waset.org/abstracts/search?q=corrosive" title=" corrosive"> corrosive</a>, <a href="https://publications.waset.org/abstracts/search?q=stone%20box" title=" stone box"> stone box</a>, <a href="https://publications.waset.org/abstracts/search?q=liner" title=" liner"> liner</a>, <a href="https://publications.waset.org/abstracts/search?q=mother%20plate" title=" mother plate"> mother plate</a>, <a href="https://publications.waset.org/abstracts/search?q=arrangement" title=" arrangement"> arrangement</a>, <a href="https://publications.waset.org/abstracts/search?q=material" title=" material"> material</a> </p> <a href="https://publications.waset.org/abstracts/152960/optimized-design-material-selection-and-improvement-of-liners-mother-plate-and-stone-box-of-a-direct-charge-transfer-chute-in-a-sinter-plant-a-computational-approach" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/152960.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">116</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3572</span> Behaviour of an RC Circuit near Extreme Point</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Tribhuvan%20N.%20Soorya">Tribhuvan N. Soorya</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Charging and discharging of a capacitor through a resistor can be shown as exponential curve. Theoretically, it takes infinite time to fully charge or discharge a capacitor. The flow of charge is due to electrons having finite and fixed value of charge. If we carefully examine the charging and discharging process after several time constants, the points on q vs t graph become discrete and curve become discontinuous. Moreover for all practical purposes capacitor with charge (q0-e) can be taken as fully charged, as it introduces an error less than one part per million. Similar is the case for discharge of a capacitor, where the capacitor with the last electron (charge e) can be taken as fully discharged. With this, we can estimate the finite value of time for fully charging and discharging a capacitor. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charging" title="charging">charging</a>, <a href="https://publications.waset.org/abstracts/search?q=discharging" title=" discharging"> discharging</a>, <a href="https://publications.waset.org/abstracts/search?q=RC%20Circuit" title=" RC Circuit"> RC Circuit</a>, <a href="https://publications.waset.org/abstracts/search?q=capacitor" title=" capacitor"> capacitor</a> </p> <a href="https://publications.waset.org/abstracts/28590/behaviour-of-an-rc-circuit-near-extreme-point" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/28590.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">447</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3571</span> New Technique of Estimation of Charge Carrier Density of Nanomaterials from Thermionic Emission Data</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Dilip%20K.%20De">Dilip K. De</a>, <a href="https://publications.waset.org/abstracts/search?q=Olukunle%20C.%20Olawole"> Olukunle C. Olawole</a>, <a href="https://publications.waset.org/abstracts/search?q=Emmanuel%20S.%20Joel"> Emmanuel S. Joel</a>, <a href="https://publications.waset.org/abstracts/search?q=Moses%20Emetere"> Moses Emetere</a> </p> <p class="card-text"><strong>Abstract:</strong></p> A good number of electronic properties such as electrical and thermal conductivities depend on charge carrier densities of nanomaterials. By controlling the charge carrier densities during the fabrication (or growth) processes, the physical properties can be tuned. In this paper, we discuss a new technique of estimating the charge carrier densities of nanomaterials from the thermionic emission data using the newly modified Richardson-Dushman equation. We find that the technique yields excellent results for graphene and carbon nanotube. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=charge%20carrier%20density" title="charge carrier density">charge carrier density</a>, <a href="https://publications.waset.org/abstracts/search?q=nano%20materials" title=" nano materials"> nano materials</a>, <a href="https://publications.waset.org/abstracts/search?q=new%20technique" title=" new technique"> new technique</a>, <a href="https://publications.waset.org/abstracts/search?q=thermionic%20emission" title=" thermionic emission"> thermionic emission</a> </p> <a href="https://publications.waset.org/abstracts/42562/new-technique-of-estimation-of-charge-carrier-density-of-nanomaterials-from-thermionic-emission-data" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/42562.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">332</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3570</span> Development of Composite Materials for CO2 Reduction and Organic Compound Decomposition</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=H.%20F.%20Shi">H. F. Shi</a>, <a href="https://publications.waset.org/abstracts/search?q=C.%20L.%20Zhang"> C. L. Zhang</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Visible-light-responsive g-C3N4/NaNbO3 nanowires photocatalysts were fabricated by introducing polymeric g-C3N4 on NaNbO3 nanowires. The microscopic mechanisms of interface interaction, charge transfer and separation, as well as the influence on the photocatalytic activity of g-C3N4/NaNbO3 composite were systematic investigated. The HR-TEM revealed that an intimate interface between C3N4 and NaNbO3 nanowires formed in the g-C3N4/NaNbO3 heterojunctions. The photocatalytic performance of photocatalysts was evaluated for CO2 reduction under visible-light illumination. Significantly, the activity of g-C3N4/NaNbO3 composite photocatalyst for photoreduction of CO2 was higher than that of either single-phase g-C3N4 or NaNbO3. Such a remarkable enhancement of photocatalytic activity was mainly ascribed to the improved separation and transfer of photogenerated electron-hole pairs at the intimate interface of g-C3N4/NaNbO3 heterojunctions, which originated from the well-aligned overlapping band structures of C3N4 and NaNbO3. Pt loaded NaNbO3-xNx (Pt-NNON), a visible-light-sensitive photocatalyst, was synthesized by an in situ photodeposition method from H2PtCl6•6H2O onto NaNbO3-xNx (NNON) sample. Pt-NNON exhibited a much higher photocatalytic activity for gaseous 2-propanol (IPA) degradation under visible-light irradiation in contrast to NNON. The apparent quantum efficiency (AQE) of Pt-NNON sample for IPA photodegradation achieved up to 8.6% at the wavelength of 419 nm. The notably enhanced photocatalytic performance was attributed to the promoted charge separation and transfer capability in the Pt-NNON system. This work suggests that surface nanosteps possibly play an important role as an electron transfer at high way, which facilitates to the charge carrier collection onto Pt rich zones and thus suppresses recombination between photogenerated electrons and holes. This method can thus be considered as an excellent strategy to enhance photocatalytic activity of organic decomposition in addition to the commonly applied noble metal doping method. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=CO2%20reduction" title="CO2 reduction">CO2 reduction</a>, <a href="https://publications.waset.org/abstracts/search?q=NaNbO3" title=" NaNbO3"> NaNbO3</a>, <a href="https://publications.waset.org/abstracts/search?q=nanowires" title=" nanowires"> nanowires</a>, <a href="https://publications.waset.org/abstracts/search?q=g-C3N4" title=" g-C3N4"> g-C3N4</a> </p> <a href="https://publications.waset.org/abstracts/44055/development-of-composite-materials-for-co2-reduction-and-organic-compound-decomposition" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/44055.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">202</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3569</span> Origin of Hydrogen Bonding: Natural Bond Orbital Electron Donor-Acceptor Interactions</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Ayoub">Mohamed Ayoub</a> </p> <p class="card-text"><strong>Abstract:</strong></p> We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=natural%20bond%20orbital" title="natural bond orbital">natural bond orbital</a>, <a href="https://publications.waset.org/abstracts/search?q=hydrogen%20bonding" title=" hydrogen bonding"> hydrogen bonding</a>, <a href="https://publications.waset.org/abstracts/search?q=electron%20donor" title=" electron donor"> electron donor</a>, <a href="https://publications.waset.org/abstracts/search?q=electron%20acceptor" title=" electron acceptor"> electron acceptor</a> </p> <a href="https://publications.waset.org/abstracts/17444/origin-of-hydrogen-bonding-natural-bond-orbital-electron-donor-acceptor-interactions" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/17444.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">442</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3568</span> Effective Charge Coupling in Low Dimensional Doped Quantum Antiferromagnets</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Suraka%20Bhattacharjee">Suraka Bhattacharjee</a>, <a href="https://publications.waset.org/abstracts/search?q=Ranjan%20Chaudhury"> Ranjan Chaudhury</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The interaction between the charge degrees of freedom for itinerant antiferromagnets is investigated in terms of generalized charge stiffness constant corresponding to nearest neighbour t-J model and t1-t2-t3-J model. The low dimensional hole doped antiferromagnets are the well known systems that can be described by the t-J-like models. Accordingly, we have used these models to investigate the fermionic pairing possibilities and the coupling between the itinerant charge degrees of freedom. A detailed comparison between spin and charge couplings highlights that the charge and spin couplings show very similar behaviour in the over-doped region, whereas, they show completely different trends in the lower doping regimes. Moreover, a qualitative equivalence between generalized charge stiffness and effective Coulomb interaction is also established based on the comparisons with other theoretical and experimental results. Thus it is obvious that the enhanced possibility of fermionic pairing is inherent in the reduction of Coulomb repulsion with increase in doping concentration. However, the increased possibility can not give rise to pairing without the presence of any other pair producing mechanism outside the t-J model. Therefore, one can conclude that the t-J-like models themselves solely are not capable of producing conventional momentum-based superconducting pairing on their own. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=generalized%20charge%20stiffness%20constant" title="generalized charge stiffness constant">generalized charge stiffness constant</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20coupling" title=" charge coupling"> charge coupling</a>, <a href="https://publications.waset.org/abstracts/search?q=effective%20Coulomb%20interaction" title=" effective Coulomb interaction"> effective Coulomb interaction</a>, <a href="https://publications.waset.org/abstracts/search?q=t-J-like%20models" title=" t-J-like models"> t-J-like models</a>, <a href="https://publications.waset.org/abstracts/search?q=momentum-space%20pairing" title=" momentum-space pairing"> momentum-space pairing</a> </p> <a href="https://publications.waset.org/abstracts/111537/effective-charge-coupling-in-low-dimensional-doped-quantum-antiferromagnets" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/111537.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">165</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3567</span> Heat Transfer Phenomena Identification of a Non-Active Floor in a Stack-Ventilated Building in Summertime: Empirical Study</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Miguel%20Chen%20Austin">Miguel Chen Austin</a>, <a href="https://publications.waset.org/abstracts/search?q=Denis%20Bruneau"> Denis Bruneau</a>, <a href="https://publications.waset.org/abstracts/search?q=Alain%20Sempey"> Alain Sempey</a>, <a href="https://publications.waset.org/abstracts/search?q=Laurent%20Mora"> Laurent Mora</a>, <a href="https://publications.waset.org/abstracts/search?q=Alain%20Sommier"> Alain Sommier</a> </p> <p class="card-text"><strong>Abstract:</strong></p> An experimental study in a Plus Energy House (PEH) prototype was conducted in August 2016. It aimed to highlight the energy charge and discharge of a concrete-slab floor submitted to the day-night-cycles heat exchanges in the southwestern part of France and to identify the heat transfer phenomena that take place in both processes: charge and discharge. The main features of this PEH, significant to this study, are the following: (i) a non-active slab covering the major part of the entire floor surface of the house, which include a concrete layer 68 mm thick as upper layer; (ii) solar window shades located on the north and south facades along with a large eave facing south, (iii) large double-glazed windows covering the majority of the south facade, (iv) a natural ventilation system (NVS) composed by ten automatized openings with different dimensions: four are located on the south facade, four on the north facade and two on the shed roof (north-oriented). To highlight the energy charge and discharge processes of the non-active slab, heat flux and temperature measurement techniques were implemented, along with airspeed measurements. Ten “measurement-poles” (MP) were distributed all over the concrete-floor surface. Each MP represented a zone of measurement, where air and surface temperatures, and convection and radiation heat fluxes, were intended to be measured. The airspeed was measured only at two points over the slab surface, near the south facade. To identify the heat transfer phenomena that take part in the charge and discharge process, some relevant dimensionless parameters were used, along with statistical analysis; heat transfer phenomena were identified based on this analysis. Experimental data, after processing, had shown that two periods could be identified at a glance: charge (heat gain, positive values) and discharge (heat losses, negative values). During the charge period, on the floor surface, radiation heat exchanges were significantly higher compared with convection. On the other hand, convection heat exchanges were significantly higher than radiation, in the discharge period. Spatially, both, convection and radiation heat exchanges are higher near the natural ventilation openings and smaller far from them, as expected. Experimental correlations have been determined using a linear regression model, showing the relation between the Nusselt number with relevant parameters: Peclet, Rayleigh, and Richardson numbers. This has led to the determination of the convective heat transfer coefficient and its comparison with the convective heat coefficient resulting from measurements. Results have shown that forced and natural convection coexists during the discharge period; more accurate correlations with the Peclet number than with the Rayleigh number, have been found. This may suggest that forced convection is stronger than natural convection. Yet, airspeed levels encountered suggest that it is natural convection that should take place rather than forced convection. Despite this, Richardson number values encountered indicate otherwise. During the charge period, air-velocity levels might indicate that none air motion occurs, which might lead to heat transfer by diffusion instead of convection. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=heat%20flux%20measurement" title="heat flux measurement">heat flux measurement</a>, <a href="https://publications.waset.org/abstracts/search?q=natural%20ventilation" title=" natural ventilation"> natural ventilation</a>, <a href="https://publications.waset.org/abstracts/search?q=non-active%20concrete%20slab" title=" non-active concrete slab"> non-active concrete slab</a>, <a href="https://publications.waset.org/abstracts/search?q=plus%20energy%20house" title=" plus energy house"> plus energy house</a> </p> <a href="https://publications.waset.org/abstracts/81533/heat-transfer-phenomena-identification-of-a-non-active-floor-in-a-stack-ventilated-building-in-summertime-empirical-study" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/81533.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">420</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3566</span> Influence of Recombination of Free and Trapped Charge Carriers on the Efficiency of Conventional and Inverted Organic Solar Cells</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hooman%20Mehdizadeh%20Rad">Hooman Mehdizadeh Rad</a>, <a href="https://publications.waset.org/abstracts/search?q=Jai%20Singh"> Jai Singh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Organic solar cells (OSCs) have been actively investigated in the last two decades due to their several merits such as simple fabrication process, low-cost manufacturing, and lightweight. In this paper, using the optical transfer matrix method (OTMM) and solving the drift-diffusion equations processes of recombination are studied in inverted and conventional bulk heterojunction (BHJ) OSCs. Two types of recombination processes are investigated: 1) recombination of free charge carriers using the Langevin theory and 2) of trapped charge carriers in the tail states with exponential energy distribution. These recombination processes are incorporated in simulating the current- voltage characteristics of both conventional and inverted BHJ OSCs. The results of this simulation produces a higher power conversion efficiency in the inverted structure in comparison with conventional structure, which agrees well with the experimental results. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=conventional%20organic%20solar%20cells" title="conventional organic solar cells">conventional organic solar cells</a>, <a href="https://publications.waset.org/abstracts/search?q=exponential%20tail%20state%20recombination" title=" exponential tail state recombination"> exponential tail state recombination</a>, <a href="https://publications.waset.org/abstracts/search?q=inverted%20organic%20solar%20cells" title=" inverted organic solar cells"> inverted organic solar cells</a>, <a href="https://publications.waset.org/abstracts/search?q=Langevin%20recombination" title=" Langevin recombination"> Langevin recombination</a> </p> <a href="https://publications.waset.org/abstracts/79569/influence-of-recombination-of-free-and-trapped-charge-carriers-on-the-efficiency-of-conventional-and-inverted-organic-solar-cells" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/79569.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">191</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3565</span> Simulations of High-Intensity, Thermionic Electron Guns for Electron Beam Thermal Processing Including Effects of Space Charge Compensation </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=O.%20Hinrichs">O. Hinrichs</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Franz"> H. Franz</a>, <a href="https://publications.waset.org/abstracts/search?q=G.%20Reiter"> G. Reiter</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Electron guns have a key function in a series of thermal processes, like EB (electron beam) melting, evaporation or welding. These techniques need a high-intensity continuous electron beam that defocuses itself due to high space charge forces. A proper beam transport throughout the magnetic focusing system can be ensured by a space charge compensation via residual gas ions. The different pressure stages in the EB gun cause various degrees of compensation. A numerical model was installed to simulate realistic charge distributions within the beam by using CST-Particle Studio code. We will present current status of beam dynamic simulations. This contribution will focus on the creation of space charge ions and their influence on beam and gun components. Furthermore, the beam transport in the gun will be shown for different beam parameters. The electron source allows to produce beams with currents of 3 A to 15 A and energies of 40 keV to 45 keV. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=beam%20dynamic%20simulation" title="beam dynamic simulation">beam dynamic simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=space%20charge%20compensation" title=" space charge compensation"> space charge compensation</a>, <a href="https://publications.waset.org/abstracts/search?q=thermionic%20electron%20source" title=" thermionic electron source"> thermionic electron source</a>, <a href="https://publications.waset.org/abstracts/search?q=EB%20melting" title=" EB melting"> EB melting</a>, <a href="https://publications.waset.org/abstracts/search?q=EB%20thermal%20processing" title=" EB thermal processing "> EB thermal processing </a> </p> <a href="https://publications.waset.org/abstracts/106185/simulations-of-high-intensity-thermionic-electron-guns-for-electron-beam-thermal-processing-including-effects-of-space-charge-compensation" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/106185.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">343</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3564</span> Prediction of Positive Cloud-to-Ground Lightning Striking Zones for Charged Thundercloud Based on Line Charge Model</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Surajit%20Das%20Barman">Surajit Das Barman</a>, <a href="https://publications.waset.org/abstracts/search?q=Rakibuzzaman%20Shah"> Rakibuzzaman Shah</a>, <a href="https://publications.waset.org/abstracts/search?q=Apurv%20Kumar"> Apurv Kumar</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Bushfire is known as one of the ascendant factors to create pyrocumulus thundercloud that causes the ignition of new fires by pyrocumulonimbus (pyroCb) lightning strikes and creates major losses of lives and property worldwide. A conceptual model-based risk planning would be beneficial to predict the lightning striking zones on the surface of the earth underneath the pyroCb thundercloud. PyroCb thundercloud can generate both positive cloud-to-ground (+CG) and negative cloud-to-ground (-CG) lightning in which +CG tends to ignite more bushfires and cause massive damage to nature and infrastructure. In this paper, a simple line charge structured thundercloud model is constructed in 2-D coordinates using the method of image charge to predict the probable +CG lightning striking zones on the earth’s surface for two conceptual thundercloud charge configurations: titled dipole and conventional tripole structure with excessive lower positive charge regions that lead to producing +CG lightning. The electric potential and surface charge density along the earth’s surface for both structures via continuously adjusting the position and the charge density of their charge regions is investigated. Simulation results for tilted dipole structure confirm the down-shear extension of the upper positive charge region in the direction of the cloud’s forward flank by 4 to 8 km, resulting in negative surface density, and would expect +CG lightning to strike within 7.8 km to 20 km around the earth periphery in the direction of the cloud’s forward flank. On the other hand, the conceptual tripole charge structure with enhanced lower positive charge region develops negative surface charge density on the earth’s surface in the range |x| < 6.5 km beneath the thundercloud and highly favors producing +CG lightning strikes. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=pyrocumulonimbus" title="pyrocumulonimbus">pyrocumulonimbus</a>, <a href="https://publications.waset.org/abstracts/search?q=cloud-to-ground%20lightning" title=" cloud-to-ground lightning"> cloud-to-ground lightning</a>, <a href="https://publications.waset.org/abstracts/search?q=charge%20structure" title=" charge structure"> charge structure</a>, <a href="https://publications.waset.org/abstracts/search?q=surface%20charge%20density" title=" surface charge density"> surface charge density</a>, <a href="https://publications.waset.org/abstracts/search?q=forward%20flank" title=" forward flank"> forward flank</a> </p> <a href="https://publications.waset.org/abstracts/148259/prediction-of-positive-cloud-to-ground-lightning-striking-zones-for-charged-thundercloud-based-on-line-charge-model" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/148259.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">117</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3563</span> Kerr Electric-Optic Measurement of Electric Field and Space Charge Distribution in High Voltage Pulsed Transformer Oil</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hongda%20Guo">Hongda Guo</a>, <a href="https://publications.waset.org/abstracts/search?q=Wenxia%20Sima"> Wenxia Sima</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Transformer oil is widely used in power systems because of its excellent insulation properties. The accurate measurement of electric field and space charge distribution in transformer oil under high voltage impulse has important theoretical and practical significance, but still remains challenging to date because of its low Kerr constant. In this study, the continuous electric field and space charge distribution over time between parallel-plate electrodes in high-voltage pulsed transformer oil based on the Kerr effect is directly measured using a linear array photoelectrical detector. Experimental results demonstrate the applicability and reliability of this method. This study provides a feasible approach to further study the space charge effects and breakdown mechanisms in transformer oil. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=electric%20field" title="electric field">electric field</a>, <a href="https://publications.waset.org/abstracts/search?q=Kerr" title=" Kerr"> Kerr</a>, <a href="https://publications.waset.org/abstracts/search?q=space%20charge" title=" space charge"> space charge</a>, <a href="https://publications.waset.org/abstracts/search?q=transformer%20oil" title=" transformer oil"> transformer oil</a> </p> <a href="https://publications.waset.org/abstracts/48379/kerr-electric-optic-measurement-of-electric-field-and-space-charge-distribution-in-high-voltage-pulsed-transformer-oil" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/48379.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">369</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3562</span> Research on the Positive Mechanism of Land Transfer Problems and Transformation in the Context of Rural Revitalization</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Dong%20Tianxiang">Dong Tianxiang</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the context of the era of rural revitalization, rural land is popular for more and more active, and its process has been widely concerned by all walks of life. By analyzing and summarizing the actual situation of land transfer, the author found that land transfer has such problems as ambiguous land transfer benefit subjects, decentralized and disorderly land transfer forms, lack of guarantee system for land transfer, and land transfer affecting food production. Based on the above problems, the author first analyzes the specific situation of land transfer in the study area with relevant econometric models and ArcGIS spatial analysis methods and analyzes its causes to construct a positive role mechanism of land use transformation on land transfer. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=land%20transfer" title="land transfer">land transfer</a>, <a href="https://publications.waset.org/abstracts/search?q=land%20use" title=" land use"> land use</a>, <a href="https://publications.waset.org/abstracts/search?q=rural%20revitalization" title=" rural revitalization"> rural revitalization</a>, <a href="https://publications.waset.org/abstracts/search?q=population%20loss" title=" population loss"> population loss</a> </p> <a href="https://publications.waset.org/abstracts/194631/research-on-the-positive-mechanism-of-land-transfer-problems-and-transformation-in-the-context-of-rural-revitalization" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/194631.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">26</span> </span> </div> </div> <ul class="pagination"> <li class="page-item disabled"><span class="page-link">&lsaquo;</span></li> <li class="page-item active"><span class="page-link">1</span></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=charge%20transfer&page=2">2</a></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=charge%20transfer&page=3">3</a></li> <li class="page-item"><a class="page-link" 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