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...

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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

Internet

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

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