Density Functional Theory (DFT) Study of Coumarin-based Dyes Adsorbed on TiO2 Nanoclusters—Applications to Dye-Sensitized Solar Cells
CI Oprea, P Panait, F Cimpoesu, M Ferbinteanu… - Materials, 2013 - mdpi.com
Coumarin-based dyes have been successfully used in dye-sensitized solar cells, leading to
photovoltaic conversion efficiencies of up to about 8%. Given the need to better understand …
photovoltaic conversion efficiencies of up to about 8%. Given the need to better understand …
A combined experimental and theoretical study of natural betalain pigments used in dye-sensitized solar cells
We report results of combined experimental and theoretical studies of betalain natural dyes
used as sensitizers for TiO2 dye-sensitized solar cells (DSSCs). To analyze the compliance …
used as sensitizers for TiO2 dye-sensitized solar cells (DSSCs). To analyze the compliance …
Improving the optoelectronic efficiency of novel meta-azo dye-sensitized TiO2 semiconductor for DSSCs
B Seyednoruziyan, MR Zamanloo… - … Acta Part A: Molecular …, 2021 - Elsevier
A series of novel azo dyes possessing varying conjugation lengths and different donor
moieties, based on 5-amino isophthalic acid were designed and synthesized. Azobenzene …
moieties, based on 5-amino isophthalic acid were designed and synthesized. Azobenzene …
DFT Study of Binding and Electron Transfer from a Metal‐Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster
We report results of density functional theory (DFT) calculations of a metal‐free dye, 5‐(4‐
sulfophenylazo) salicylic acid disodium salt, known as Mordant Yellow 10 (MY‐10), used as …
sulfophenylazo) salicylic acid disodium salt, known as Mordant Yellow 10 (MY‐10), used as …
DFT study of electronic structure and optical properties of some Ru-and Rh-based complexes for dye-sensitized solar cells
The paper reports Time Dependent Density Functional Theory (TD DFT) calculations
providing the structure, electronic properties and spectra of [Ru (II)(bpy) 3− n (dcbpy) n] 2+ …
providing the structure, electronic properties and spectra of [Ru (II)(bpy) 3− n (dcbpy) n] 2+ …
Incorporation of Kojic Acid‐Azo Dyes on TiO2 Thin Films for Dye Sensitized Solar Cells Applications
CZW Sie, Z Ngaini - Journal of Solar Energy, 2017 - Wiley Online Library
Sensitization of heavy metal free organic dyes onto TiO2 thin films has gained much
attention in dye sensitized solar cells (DSSCs). A series of new kojic acid based organic …
attention in dye sensitized solar cells (DSSCs). A series of new kojic acid based organic …
[HTML][HTML] DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2 nanocluster: Application to photocatalytic degradation under visible …
We report results of density functional theory (DFT) calculations on some colorless aromatic
systems adsorbed on a TiO 2 nanocluster, in order to explain experimental results regarding …
systems adsorbed on a TiO 2 nanocluster, in order to explain experimental results regarding …
Anticancer Activity of a Complex of CuII with 2‐(2‐hydroxyphenylazo)‐indole‐3/‐acetic Acid on three different Cancer Cell Lines: A Novel Feature for Azo Complexes
D Ganguly, CK Jain, RC Santra… - …, 2017 - Wiley Online Library
Toxicity of azo dyes and theirinteraction with biological systems has either been overlooked
or not exploited properly. A CuII complex of 2‐(2‐hydroxyphenylazo)‐indole‐3/‐acetic acid …
or not exploited properly. A CuII complex of 2‐(2‐hydroxyphenylazo)‐indole‐3/‐acetic acid …
Role of energy level alignment in solar cells sensitized with a metal‐free organic dye: A combined experimental and theoretical approach
We report results of combined experimental and theoretical studies of dye‐sensitized solar
cells (DSSCs) using 5‐(4‐sulfophenylazo) salicylic acid disodium salt, known as Mordant …
cells (DSSCs) using 5‐(4‐sulfophenylazo) salicylic acid disodium salt, known as Mordant …
Disperse red 1 and reactive red 2–modified nanoparticulate TiO2 films as photoanodes for studying photovoltaic properties of textile azo dyes
JC Baltazar-Vera, R Fuentes-Ramírez, E Bustos… - … of Photochemistry and …, 2015 - Elsevier
Here we report the preparation of dye-sensitized solar cells containing disperse red 1 (RD1)-
or reactive red 2 (RR2)-modified nanoparticulate TiO 2 photoanodes and their charge carrier …
or reactive red 2 (RR2)-modified nanoparticulate TiO 2 photoanodes and their charge carrier …