The impact of spatially heterogeneous chemical doping on the electronic properties of CdSe quantum dots: insights from ab initio computation

P Deswal, K Samanta, D Ghosh - Nanoscale, 2023 - pubs.rsc.org
The introduction of copper (Cu) impurity in semiconductor CdSe quantum dots (QDs) gives
rise to unique photoluminescence (PL) bands exhibiting distinctive characteristics, like …

Comprehensive investigation of structural, electronic and optical properties of KBaP using density functional theory

AA Amine, OM Mounir, A Abdelkader… - The Eurasia Proceedings …, 2024 - epstem.net
In this study, we investigate the structural, mechanical, dynamical, electronic,
thermodynamic, and optical properties of KBaP using density functional theory (DFT) within …