Moteb Khobrani

DFT insights into indole detection and removal using aluminum and zinc doped coronene

Moteb Khobrani, Mohammed Ghazwani, Umme Hani, Yahia Alghazwani

Abstract The detection of Indole (IND) is crucial due to its biological and environmental significance. This study employs density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations to investigate the adsorption behavior, electronic structure modifications, and…Read more