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Tuning the Catalytic Activity of Pd(x)Ni(y) (x + y = 6) Bimetallic Clusters for Hydrogen Dissociative Chemisorption and Desorption

[Image: see text] Density functional theory was used to study dissociative chemisorption and desorption on Pd(x)Ni(y) (x + y = 6) bimetallic clusters. The H(2) dissociative chemisorption energies and the H desorption energies at full H saturation were computed. It was found that bimetallic clusters...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Ma, Shuangxiu, Fei, Shunxin, Huang, Liang, Forrey, Robert C., Cheng, Hansong
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6681985/
https://ncbi.nlm.nih.gov/pubmed/31460369
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b01360
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