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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| 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 |