Adsorption performance of M-doped (M = Ti and Cr) gallium nitride nanosheets towards SO(2) and NO(2): a DFT-D calculation

The structure, adsorption characteristics, electronic properties, and charge transfer of SO(2) and NO(2) molecules on metal-doped gallium nitride nanosheets (M-GaNNSs; M = Ti and Cr) were scrutinized at the Grimme-corrected PBE/double numerical plus polarization (DNP) level of theory. Two types, M(G...

Descripción completa

Detalles Bibliográficos
Autores principales: Roohi, Hossein, Ardehjani, Nastaran Askari
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055613/
https://www.ncbi.nlm.nih.gov/pubmed/35516914
http://dx.doi.org/10.1039/d0ra03251d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055613/
https://www.ncbi.nlm.nih.gov/pubmed/35516914
http://dx.doi.org/10.1039/d0ra03251d

Ejemplares similares