TY  - JOUR
T1  - New Organic Materials Based on Thiophene for Photovoltaic Device: Theoretical investigation
AU  - Abram, Tayeb
AU  - Bouachrıne, Mohammed
AU  - Kacimi, Rachid
AU  - Bejjit, Lahcen
AU  - Nassiri Bennani, Mohammed
PY  - 2018
DA  - December
DO  - 10.33435/tcandtc.410314
JF  - Turkish Computational and Theoretical Chemistry
JO  - Turkish Comp Theo Chem (TC&TC)
PB  - Koray SAYIN
WT  - DergiPark
SN  - 2587-1722
SP  - 36
EP  - 48
VL  - 2
IS  - 2
LA  - en
AB  - Theoretical study on the geometries,electronic properties and absorption spectra of these five conjugated compoundsbased on thiophene are studied by Density Functional Theory (DFT) method atB3LYP level with 6-31G(d,p) basis set.The absorption properties were calculated starting at the optimizedstructures are calculated using TD-B3LYP/6-31G(d,p) method. The HOMO, LUMO, Gapenergy, Voc , ionization potentials(IP)/electron affinities (EA) and λmax of thesecompounds have been calculated and reported in this paper. The objective ofthis study; is to evidence the relationship between chemical structure of theseorganic materials and their properties optoelectronic andphotovoltaic of ways has conceivethereafter the compounds with effective character for solar cells.
KW  - Electronic properties
KW  - thiophene
KW  - DFT
KW  - organic materials
KW  - solar cells
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UR  - https://doi.org/10.33435/tcandtc.410314
L1  - https://dergipark.org.tr/en/download/article-file/547348
ER  -