Effect of Si, Be, Al, N and S dual doping on arsenene: first-principles insights

First-principles calculations based on density functional theory (DFT) have been performed to investigate the effect of Si/Be, Si/Al, Si/N and Si/S co-doping on the geometries, electronic structure, magnetism and particularly the adsorption of CO in arsenene. The results show that the incorporation...

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Detalles Bibliográficos
Autores principales: Mushtaq, Muhammad, Godara, Sumegha, Khenata, Rabah, Usman Hameed, Muhammad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037023/
https://www.ncbi.nlm.nih.gov/pubmed/35478924
http://dx.doi.org/10.1039/d1ra03394h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037023/
https://www.ncbi.nlm.nih.gov/pubmed/35478924
http://dx.doi.org/10.1039/d1ra03394h

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