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Pd-Decorated WTe(2) Monolayer as a Favorable Sensing Material toward SF(6) Decomposed Species: A DFT Study
[Image: see text] Based on density functional theory, this work first investigates the Pd-decorating property on the pristine WTe(2) monolayer and then simulates the adsorption performance of a Pd-decorated WTe(2) (Pd–WTe(2)) monolayer on SO(2) and SOF(2) molecules, in order to explore its sensing p...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9893256/ https://www.ncbi.nlm.nih.gov/pubmed/36743050 http://dx.doi.org/10.1021/acsomega.2c07456 |