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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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Detalles Bibliográficos
Autores principales: Ma, Shuangxiu, Fei, Shunxin, Huang, Liang, Forrey, Robert C., Cheng, Hansong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6681985/
https://www.ncbi.nlm.nih.gov/pubmed/31460369
http://dx.doi.org/10.1021/acsomega.9b01360