Five novel T shaped phenothiazine-based organic dyes DTTP1~ 5 with different spacers at
N (10) position were designed. The geometries, electronic structures, absorption spectra …

In this contribution, six new organic dyes were investigated by the density functional theory
(DFT). The electron-donor unit is a phenothiazine fragment substituted by an ethynyl-pyrene …

Dye-sensitized solar cells (DSSCs) have attracted widespread attention due to their unique
features. In the present work, molecular engineered triphenylamine based dyes featuring …

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 …

A series of metal-free organic dyes (TPA1-TPA5) comprising triphenylamine as electron
donor, cyanoacrylic acid as anchoring group and oligocenothiophene-pyrimidine as π …

Two series of novel dyes were designed based on the multipolar structures of the red dye
D35 and blue dye DB, by introducing the furan (F), benzene ring (B) and benzo [c] thiophene …

We synthesized POBA dye and studied its performance as a sensitizer and co-sensitizer. In
addition, we present a simple method for producing Ni-doped TiO2 with various molar …

In this work, the molecular engineering approach was applied to the organic dyes of AE, AQ,
TE, and TQ having the donor-acceptor (DA) configuration to investigate the solar cell …

We present a method based on a time-dependent self-consistent density functional tight-
binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection …

The structure‐activity relationships of the three D− A‐π‐A type dyes (LC6, LC7 and LC8)
were investigated via density functional theory (DFT) and time‐dependent DFT methods …