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The adsorption behaviors of N(2)O on penta-graphene and Ni-doped penta-graphene

In order to develop the adsorption application of penta-graphene (PG) to N(2)O gas molecule, we calculated the sensing properties of PG and Ni-doped PG to N(2)O molecule via first-principles calculations. Based on the calculated adsorption energy, charge transfer, band gap, density of states and par...

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Detalles Bibliográficos
Autores principales: Hua, Hu, Ni, Yun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400166/
https://www.ncbi.nlm.nih.gov/pubmed/36093239
http://dx.doi.org/10.1039/d2ra03424g

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