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Ru-Catalyzed Steam Methane Reforming: Mechanistic Study from First Principles Calculations

[Image: see text] Elucidating the reaction mechanism of steam methane reforming (SMR) is imperative for the rational design of catalysts for efficient hydrogen production. In this paper, we provide mechanistic insights into SMR on Ru surface using first principles calculations based on dispersion-co...

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Detalles Bibliográficos
Autores principales: Arevalo, Ryan Lacdao, Aspera, Susan Meñez, Sison Escaño, Mary Clare, Nakanishi, Hiroshi, Kasai, Hideaki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6640994/
https://www.ncbi.nlm.nih.gov/pubmed/31457505
http://dx.doi.org/10.1021/acsomega.6b00462