Adsorption and Sensing Performances of Pristine and Au-Decorated Gallium Nitride Monolayer to Noxious Gas Molecules: A DFT Investigation

In this study, the adsorption of noxious gas molecules (NO, Cl(2), and O(3)) on GaN and Au-decorated GaN was systematically scrutinized, and the adsorption energy, bond length, charge, density of state (DOS), partial density of state (PDOS), electron deformation density (EDD), and orbitals were anal...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Zhihui, Jia, Lufen, Chen, Jianxing, Cui, Xiaosen, Zhou, Qu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9133956/
https://www.ncbi.nlm.nih.gov/pubmed/35646827
http://dx.doi.org/10.3389/fchem.2022.898154

Ejemplares similares

Ejemplares similares