Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

[Image: see text] Layered transition-metal chalcogenides have emerged as a fascinating new class of materials for catalysis. Here, we present periodic density functional theory (DFT) calculations of the adsorption of thiophene and the direct desulfurization reaction pathways on the (001), (011), and...

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Detalles Bibliográficos
Autores principales: Dzade, Nelson Y., de Leeuw, Nora H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5767879/
https://www.ncbi.nlm.nih.gov/pubmed/29348782
http://dx.doi.org/10.1021/acs.jpcc.7b08711

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5767879/
https://www.ncbi.nlm.nih.gov/pubmed/29348782
http://dx.doi.org/10.1021/acs.jpcc.7b08711

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