We review computational contributions to the understanding of the physical principles
underlying interface phenomena related to dye adsorption at the surface of titanium oxide …

The recombination of injected electrons with oxidized redox species and regeneration
behavior of copper redox mediators are investigated for four copper complexes,[Cu (dmby) …

We perform a systematic theoretical and computational investigation of phenoxazine (POZ)-
based organic dyes to rationalize the marked difference in the energy conversion efficiency …

In this work, the dye-sensitization approach was used to optimize the compact
layer/perovskite interface in planar perovskite solar cells (PSCs). The chemisorption of the …

The unusual bonding pattern and proximal heteroatom substitution in π-cross conjugation
produced distinct changes in the energy levels and photophysical behaviour of the dyes. To …

For the promising material for both oil/water separation and water-soluble contaminants, the
Dye@ TiO 2-TEOS/VTEO hybrid modified polyester fabric is developed by a simple dip …

Due to the role of dyes in dye-sensitized solar cells (DSSCs), designing novel dye
sensitizers is an effective strategy to improve the power conversion efficiency. To this end …

We present a self-consistent approach for computing the correlated quasiparticle spectrum
of charged excitations in iterative O [N 5] computational time. This is based on the auxiliary …

Dye-sensitized solar cells (DSSCs) are cost-effective, sustainable, and versatile electricity
producers, allowing them to be incorporated into a variety of devices. In this work, we …

A series of D-π-A type dyes were designed based on the experimentally synthesized A1 by
introducing different functional groups on the donor and π-spacer, and the optical and …