Inorganic molecule (O(2), NO) adsorption on nitrogen- and phosphorus-doped MoS(2) monolayer using first principle calculations

We performed a systematic study of the adsorption behaviors of O(2) and NO gas molecules on pristine MoS(2), N-doped, and P-doped MoS(2) monolayers via first principle calculations. Our adsorption energy calculations and charge analysis showed that the interactions between the NO and O(2) molecules...

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Detalles Bibliográficos
Autores principales: Abbas, Hafiz Ghulam, Debela, Tekalign Terfa, Hussain, Sajjad, Hussain, Iftikhar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090664/
https://www.ncbi.nlm.nih.gov/pubmed/35559082
http://dx.doi.org/10.1039/c8ra07638c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090664/
https://www.ncbi.nlm.nih.gov/pubmed/35559082
http://dx.doi.org/10.1039/c8ra07638c

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