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Inorganic molecule (O(2), NO) adsorption on nitrogen- and phosphorus-doped MoS(2) monolayer using first principle calculations
We performed a systematic study of the adsorption behaviors of O(2) and NO gas molecules on pristine MoS(2), N-doped, and P-doped MoS(2) monolayers via first principle calculations. Our adsorption energy calculations and charge analysis showed that the interactions between the NO and O(2) molecules...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090664/ https://www.ncbi.nlm.nih.gov/pubmed/35559082 http://dx.doi.org/10.1039/c8ra07638c |