New series of organic dyes M i (i= 2–10) derived from M 1 have been investigated by using
density functional theory (DFT) and time-dependent density functional theory (TD-DFT) …

Metal-free organic dyes are promising dyes that can be applied widely in dye-sensitized
solar cells (DSSCs). The rational design and selection of dyes with complementary …

The photophysical, electrochemical and photovoltaic properties of the title sensitizers as
isolated monomers and co-sensitizers are systematically investigated for co-sensitized solar …

In this study, we have designed a series of novel D-π i-π-A organic dyes with different π i-
spacers (D i, i= 2–8) for dye-sensitized solar cells (DSSC) based on the synthesized dye D 1 …

Transition metal borides have broad application prospects in the field of electrochemistry
due to their excellent physicochemical stability and electrical conductivity. In this study, metal …

To explore high efficiency dye-sensitized solar cells (DSSCs), two experimentally derived
(single fence and double fence porphyrins) and two theoretically designed zinc porphyrin …

In this work, a computational investigation of ferrocene (Fc)‐based compounds
FcCH2CS3CH2Fc (1) and FcCH2SSCH2Fc (2) sensitizer for dye‐sensitized solar cells …

Abstract Donor-π-linker-acceptor (D-π-A) push–pull dye molecules are most common in dye-
sensitized solar cells (DSSCs) applications. Selection of dye molecules for DSSCs is based …

Machine learning (ML) research based on the quantitative structure–property relationship
(QSPR) has been applied for the development of highly efficient dye-sensitized solar cells …

Herein we studied the potential suitability of four thiophene-linked coumarin dyes in dye-
sensitized solar cells (DSSCs) application by employing density functional theory (DFT) and …