Bulk heterojunction solar cells have attracted scientific and economic interest in recent
years, and have just been one of the future photovoltaic technologies to produce energy at …

In this work, a theoretical study of π-conjugated materials based on diphenyl-diketopyrrolo-
pyrrole is presented with the aim of proposing new organic materials for BHJ solar cells …

Context The work described in this section uses DFT/TD-DFT/B3LYP/6-31G (d, p)(density
functional theory and time-dependent density functional theory) to study and simulate the …

In the present paper, four π-conjugated materials, based on terphenyl and pyrrole, with A–D–
A structure have been theoretically studied to propose new organic compounds to be used …

Theoretical analysis on geometries, optoelectronic properties, photovoltaic properties and
absorption spectra on six π-conjugated molecules used in organic bulk heterojunction solar …

To better understand and predict the properties of the π-conjugated compound especially in
view of their use as organic solar cells, we have performed the investigation by using the …

In this work, the theoretical analysis on the geometries and electronic properties of
conjugated compound based on thiophene and oxadiazole {TTTTT; TTTTT (CH3); …

This paper is mainly about the theoretical investigations of the structural, optoelectronic and
photovoltaic properties of sixteen conjugated compounds based on acridine. The quantum …

The research in new organic π-conjugated molecules with specific properties has become
one of the most interesting topics in fields of materials chemistry. These materials are …