DFT investigation of Percyanation effect of coronene molecule: Comparative study with their Perhalogenated counterparts.
MO Bouba, F Tchangnwa Nya, A Malloum, J Conradie… - Polymer Bulletin, 2022 - Springer
We have investigated the structures, electronic properties, hole and electron mobilities of
perfluorinated, perchlorinated and percyanated coronene molecules, using the density …
perfluorinated, perchlorinated and percyanated coronene molecules, using the density …
Anisotropic charge transport and optoelectronic properties of wide band gap organic semiconductors based on biphenyl derivatives: A computational study
The electronic structures and the charge transport properties of the biphenyl derivatives
were calculated using density functional theory (DFT). The values of ionization potential (IP) …
were calculated using density functional theory (DFT). The values of ionization potential (IP) …
Perhalogenation and Percyanation of Coronene for Characterization of the New Efficient Organic Semiconductors for Charge Transport
MO Bouba, FT Nya, A Malloum, J Conradie, JM Ndjaka - 2021 - researchsquare.com
We have investigated the structures, electronic properties, hole and electron mobilities of
perfluorinated, perchlorinated and percyanated coronene molecules, using the density …
perfluorinated, perchlorinated and percyanated coronene molecules, using the density …
[PDF][PDF] Effet of edge fluorination and chlorination on structures, stability, electronic and charge transport properties of benzo [o] bistriphenyleno [2, 1, 12, 11-efghi: 2', 1' …
MO Bouba, FT Nya, CY Ngui, JM Ndjaka - 2021 - scholar.archive.org
We have investigated the structures, electronic properties, hole and electron mobilities of
fluorinated and chlorinated nanographene of benzo [o] bistriphenyleno [2, 1, 12, 11-efghi: 2' …
fluorinated and chlorinated nanographene of benzo [o] bistriphenyleno [2, 1, 12, 11-efghi: 2' …