The optical, electrochemical and density functional theory molecular simulation of a metal-
free D-(π-A) 2, ie, 3, 3′-(5, 5′-(9-hexyl-9H-carbazole-3, 6-diyl) bis (thiophene-5, 2-diyl)) …

Three novel dye sensitizers that were based on asymmetric double D-π-A chains with
phenoxazine (POZ) and diphenylamine (DPA) as electron donors and cyanoacetic acid (CA) …

In this paper, we present a series of sensitizers to shed light on the influence of π-spacers on
the performance of dye-sensitized solar cells. We have accurately calculated key properties …

Using density functional theory and time-dependent density functional theory, we
theoretically studied a new series of five novel metal-free organic dyes, namely D1–D5, for …

A new generation of metal-free organic dyes with a range of donor (D1) and acceptors (A1-
A3) were designed and examined for dye-sensitized solar cells (DSSCs) based on (3a) dye …

Context The dye-sensitized solar cell is a technology unique in its light conversion
properties as it operates with record efficiencies in diffused light conditions. The choice of …

In this study, we have designed a series of metal-free organic D-π-A (electron donor-π-
conjugated-acceptor) dyes employed in dye-sensitized solar cells (DSSCs). The optimized …

Novel ten organic donor-π-acceptor dyes (D-π-A), used for dye-sensitized solar cells
(DSSCs), based on thiazolothiazole were studied by density functional theory (DFT) and …

We have designed and synthesized four new metal free D–A–π–A type dyes (9–12) with
variations in their acceptor/anchor groups. The four dyes carry tert-butyl substituted …

Computational studies using density functional theory and time-dependent DFT approaches
have been performed to study a series of metal free donor− π-linker–acceptor (D− π–A) …