First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al(60)N(60) Nanoclusters

In this work, we use the first-principles method to study in details the characteristics of the adsorption of hazardous NO(2), NO, CO(2), CO and SO(2) gas molecules by pure and heteroatom (Ti, Si, Mn) modified Al(60)N(60) nanoclusters. It is found that the pure Al(60)N(60) cluster is not sensitive t...

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Detalles Bibliográficos
Autores principales: Liang, Qi, Nie, Xi, Du, Wenzheng, Zhang, Pengju, Wan, Lin, Ahuja, Rajeev, Ping, Jing, Qian, Zhao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7692222/
https://www.ncbi.nlm.nih.gov/pubmed/33137982
http://dx.doi.org/10.3390/nano10112156

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7692222/
https://www.ncbi.nlm.nih.gov/pubmed/33137982
http://dx.doi.org/10.3390/nano10112156

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