Search Results - "Koudjina, Simplice"

Elimination of Thiophenic Compounds by Cycloaddition with Ethylene for an Efficient Purification of Fuels: A DFT Study by Kanhounnon, Wilfried G., Richard, Frédéric, Kpotin, Gaston A., Koudjina, Simplice, Kuevi, Urbain A., Atohoun, Guy S., Badawi, Michael

“…Using DFT calculations, we have investigated the cycloaddition of thiophene with ethylene, followed by desulfurization of the produced heterobicyclic molecules…”
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Quantum mechanistic study of furan and 2-methylfuran hydrodeoxygenation on molybdenum and tungsten sulfide clusters by Kanhounnon, Wilfried G., Kuevi, Urbain A., Kpotin, Gaston A., Koudjina, Simplice, Houngue, Alice Kpota, Atohoun, Guy Y. S., Mensah, Jean-Baptiste, Badawi, Michael

“…One of the possibilities of limiting carbon dioxide emissions is to use pyrolysis oils from biomass. However, their very high oxygen content confers to these…”
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Optoelectronic design and charge transport properties of Benzodifuran (BDF) isomers for organic electronic devices: DFT/TD-DFT insights by Kumar, Vipin, Koudjina, Simplice, Verma, Pankaj, Chetti, Prabhakar

“…[Display omitted] •A charge transport and optoelectronic property of all the possible isomers of Benzodifuran (BDF) for organic photovoltaic devices has…”
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Impact of organic dye-photosensitizer on TiO2 nanocrystalline surface for high performance organic electronic devices: A computational insight by Koudjina, Simplice, Kumar, Vipin, Atohoun, Guy Y.S., Gbenou, Joachim D., Chetti, Prabhakar

“…[Display omitted] •Design and optoelectronic properties analysis of organic material OS, SS and OSS dyes series using DFT and TD-DFT methodology.•All the…”
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Mechanistic enhanced cell voltage based on halides doped metal oxide fullerenes for use in Li-ion batteries: Insights from DFT intuition by Kosar, Naveen, Shahnaz, Koudjina, Simplice, Ayub, Khurshid, Gilani, Mazhar Amjad, Imran, Muhammad, Mahmood, Tariq

“…Designing of anode nanomaterials with an optimum cell voltage is an important challenge for high-performance lithium (Li) ion batteries. In this study, we have…”
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Benzodithiophene (BDT) and benzodiselenophene (BDSe) isomers' charge transport properties for organic optoelectronic devices by Kumar, Vipin, Tripathi, Anuj, Koudjina, Simplice, Chetti, Prabhakar

“…This study's primary objective is to give a thorough examination of the comparative charge transport and optoelectronic characteristics of all conceivable…”
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Molecular engineering strategy and optoelectronic properties of diaminobenzene-thiazole π-conjugated small donor molecules for high-performance organic solar cells by Sawadogo, René, Koudjina, Simplice, Kumar, Vipin, Moussa, Bougouma, Sotiropoulos, Jean-Marc, Y. S. Atohoun, Guy, Gbenou, Joachim D., Chetti, Prabhakar

“…[Display omitted] •Computational studies of potential prospective Oligomers materials by predicting their most important reactive properties are…”
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Biomass residues purification: elimination of oxygen from oxolane and its monomethylated derivatives through hydrodeoxygenation process by Koudjina, Simplice, Kosar, Naveen, Kpotin, Gaston A, Thomas, Affi Sopi, Mahmood, Tariq, Atohoun, Guy Y S

“…Abstract The persistent global demand of fossil fuels has spurred significant interest in the invention of new renewable energy sources to replace finite,…”
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Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS2 by Kanhounnon, Wilfried G, Saber Gueddida, Koudjina, Simplice, Frédéric, Richard, Atohoun, Guy Y S, Paul, Jean-François, Lebègue, Sébastien, Badawi, Michael

“…Herein, we have studied the direct deoxygenation (DDO) (without prior hydrogenation) of furan, 2-methylfuran and benzofuran on the metal edge of MoS2 with a…”
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Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS 2 by Kanhounnon, Wilfried G, Gueddida, Saber, Koudjina, Simplice, Richard, Frédéric, Atohoun, Guy Y S, Paul, Jean-François, Lebègue, Sébastien, Badawi, Michael

“…Herein, we have studied the direct deoxygenation (DDO) (without prior hydrogenation) of furan, 2-methylfuran and benzofuran on the metal edge of MoS with a…”
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Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane by Koudjina, Simplice, Kanhounnon, Wilfried G., Kpotin, Gaston A., Thomas, Affi Sopi, Sawadogo, René, Semmeq, Abderrahmane, Kosar, Naveen, Badawi, Michael, Mahmood, Tariq, Atohoun, Guy Y.S.

“…Bio-oils obtained from biomass contain heteroatoms compounds, like oxolane and thiolane. It is quite difficult for industrialist to purify such refractory…”
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