Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH(3), PH(3) and NH(3) gases

A magnesium-decorated graphene quantum dot (C(24)H(12)-Mg) surface has been examined theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++G(2p,2d) level of theory to determine its sensing capability toward XH(3) gases, where X = As, N and P, in four different phases:...

Descripción completa

Detalles Bibliográficos
Autores principales: Agwamba, Ernest C., Louis, Hitler, Olagoke, Praise O., Gber, Terkumbur E., Okon, Gideon A., Fidelis, Chidera F., Adeyinka, Adedapo S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10155676/
https://www.ncbi.nlm.nih.gov/pubmed/37152564
http://dx.doi.org/10.1039/d3ra01279d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10155676/
https://www.ncbi.nlm.nih.gov/pubmed/37152564
http://dx.doi.org/10.1039/d3ra01279d

Ejemplares similares