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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...

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Detalles Bibliográficos
Autores principales: Liang, Jingxuan, Wen, Xiangli, Wei, Shikai, Zheng, Shuqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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