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Exploring the Evolution Mechanism of Sulfur Vacancies by Investigating the Role of Vacancy Defects in the Interaction between H(2)S and the FeS(001) Surface
[Image: see text] Vacancy defects are inherent point defects in materials. In this study, we investigate the role of Fe vacancy (V(Fe)) and S vacancy (V(S)) in the interaction (adsorption, dissociation, and diffusion) between H(2)S and the FeS(001) surface using the dispersion-corrected density func...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8320074/ https://www.ncbi.nlm.nih.gov/pubmed/34337259 http://dx.doi.org/10.1021/acsomega.1c02639 |