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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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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Arevalo, Ryan Lacdao, Aspera, Susan Meñez, Sison Escaño, Mary Clare, Nakanishi, Hiroshi, Kasai, Hideaki
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6640994/
https://ncbi.nlm.nih.gov/pubmed/31457505
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.6b00462
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