Study the Adsorption of Letrozole Drug on the Silicon Doped Graphdiyne Monolayer: a DFT Investigation

In the current study, by employing first-principles computations, the adsorption behavior of letrozole (LET) was investigated on the pristine graphdiyne nanosheet (GDY) as well as Si-doped graphdiyne (SiGDY). According to the adsorption energy, charge transfer value, and the change in the bang gap e...

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Detalles Bibliográficos
Autores principales: Karbakhshzadeh, Ayda, Derakhshande, Maryam, Farhami, Nabieh, Hosseinian, Akram, Ebrahimiasl, Saeideh, Ebadi, Abdolghaffar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2021
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8109220/
http://dx.doi.org/10.1007/s12633-021-01143-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8109220/
http://dx.doi.org/10.1007/s12633-021-01143-y

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