A density functional theory study on the adsorption of different organic sulfides on boron nitride nanosheet

The adsorption of methanethiol (MT), thiophene (T), benzothiophene (BT), dibenzothiophene (DBT) on hexagonal boron nitride (h-BN) has been investigated by the framework of the density functional theory (DFT) calculations in this work. The prefer adsorption sites and interfacial angles of different s...

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Detalles Bibliográficos
Autores principales: Hou, Zhengjian, Lin, Xufeng, Wu, Ke, Chi, Hua, Zhang, Wumin, Ma, Lishuang, Xi, Yanyan
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/PMC10614038/
https://www.ncbi.nlm.nih.gov/pubmed/37908653
http://dx.doi.org/10.1039/d3ra05718f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10614038/
https://www.ncbi.nlm.nih.gov/pubmed/37908653
http://dx.doi.org/10.1039/d3ra05718f

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