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Tuning the structural and electronic properties and chemical activities of stanene monolayers by embedding 4d Pd: a DFT study
We have thoroughly investigated the interaction of some gas molecules (CO, NO, N(2)O and NH(3)) with Pd-decorated stanene nanosheets using density functional theory calculations. In this regard, we have considered three patterns for embedding Pd into the stanene monolayer, and then placed gas molecu...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064373/ https://www.ncbi.nlm.nih.gov/pubmed/35521401 http://dx.doi.org/10.1039/c9ra01472a |