Exploring charge transfer effects on linear, non‐linear optical, and dye‐sensitized solar cell properties: A DFT and TD‐DFT investigation of carbazole and aniline …

SJ Sharma, N Sekar - International Journal of Quantum …, 2024 - Wiley Online Library
The efficacy of aniline and carbazole‐based sensitizers used in dye‐sensitized solar cells
(DSSCs) is correlated with the trends in density functional theory (DFT) based charge …

Positional isomers of heterocyclic azo dyes: Investigation of NLO properties by Z-scan and correlative DFT studies

CW Ghanavatkar, VR Mishra, N Ayare… - Journal of the Indian …, 2021 - Elsevier
We report four azo dyes and their positional isomers having a benzothiazole-pyridone core.
Selected heterocyclic emissive azo dyes in this work are analysed for their non-linear optical …