A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O(2) Activation

The CO oxidation behaviors on single Au atom embedded in two-dimensional h-BN monolayer are investigated on the basis of first-principles calculations, quantum Born-Oppenheim molecular dynamic simulations (BOMD) and micro-kinetic analysis. We show that CO oxidation on h-BN monolayer support single g...

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Detalles Bibliográficos
Autores principales: Mao, Keke, Li, Lei, Zhang, Wenhua, Pei, Yong, Zeng, Xiao Cheng, Wu, Xiaojun, Yang, Jinlong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4069717/
https://www.ncbi.nlm.nih.gov/pubmed/24962006
http://dx.doi.org/10.1038/srep05441

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4069717/
https://www.ncbi.nlm.nih.gov/pubmed/24962006
http://dx.doi.org/10.1038/srep05441

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