Search Results - "Atohoun, Guy Y. S."
-
1
Molecular engineering strategy and optoelectronic properties of diaminobenzene-thiazole π-conjugated small donor molecules for high-performance organic solar cells
Published in Computational and theoretical chemistry (01-08-2024)“…[Display omitted] •Computational studies of potential prospective Oligomers materials by predicting their most important reactive properties are…”
Get full text
Journal Article -
2
Biomass residues purification: elimination of oxygen from oxolane and its monomethylated derivatives through hydrodeoxygenation process
Published in Physica scripta (01-04-2024)“…Abstract The persistent global demand of fossil fuels has spurred significant interest in the invention of new renewable energy sources to replace finite,…”
Get full text
Journal Article -
3
Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS2
Published in RSC advances (12-07-2024)“…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…”
Get full text
Journal Article -
4
Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS 2
Published in RSC advances (12-07-2024)“…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…”
Get full text
Journal Article -
5
Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane
Published in Journal of molecular graphics & modelling (01-11-2022)“…Bio-oils obtained from biomass contain heteroatoms compounds, like oxolane and thiolane. It is quite difficult for industrialist to purify such refractory…”
Get full text
Journal Article -
6
Quantum mechanistic study of furan and 2-methylfuran hydrodeoxygenation on molybdenum and tungsten sulfide clusters
Published in Journal of molecular modeling (01-08-2019)“…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…”
Get full text
Journal Article -
7
Impact of organic dye-photosensitizer on TiO2 nanocrystalline surface for high performance organic electronic devices: A computational insight
Published in Journal of photochemistry and photobiology. A, Chemistry. (01-08-2023)“…[Display omitted] •Design and optoelectronic properties analysis of organic material OS, SS and OSS dyes series using DFT and TD-DFT methodology.•All the…”
Get full text
Journal Article