Context The organic solar cells (OSCs) are being developed with the goal of improving their
photovoltaic capabilities. Here, utilizing computational methods, six new nonfullerene …

This study investigates the photovoltaic (PV) properties, their energetic offset correlations of
quinazoline-based push-pull switches. It finds an interesting correlation between their band …

This research focused on the investigating electronic and optical properties of designed
chromophores (TPTP1-TPTP5) to involve their comprehensive analysis, including geometry …

This research paper presents a comprehensive study on the design and photovoltaic
parameters of azobenzene type 24 photo switches (PSs) of triazole by density functional …

The photovoltaic and optical properties of 6, 6′‐dibromoindigotin (DBI) crystal under
changing solvent polarity are investigated through DFT analysis. It includes geometry …

During present study, we have attempted to present few nanosized maquettes of a
semiconductor alloy which can be designed under the action of microbes to be utilize for …

Squaraine dyes possess sharp far‐red active transition with high extinction coefficient and
form aggregates on TiO2 surface. Aggregation of dyes on TiO2 has been considered as a …

Context Due to their unique photophysical properties, organic charge transfer crystals are
becoming promising materials for next-generation optoelectronic devices. This research …

This study investigates the optical properties and first-order hyperpolarizability of Violerythrin
(SV) and quinoid carotenoid isorenieratene-3, 3′-dione (IRD) structures, prominent natural …

In this paper, we performed theoretical studies on the twelve DA-π-A type organic dyes (G-
1~ G-3, M-1~ M-3, J-1~ J-3, and S-1~ S-3) with 9-phenylcarbazole as the electron donor in …