DFT Study on Intermetallic Pd–Cu Alloy with Cover Layer Pd as Efficient Catalyst for Oxygen Reduction Reaction

Detailed density functional theory (DFT) calculations of the adsorption energies (E(ad)) for oxygen on monolayer Pd on top of the Pd–Cu face-centered cubic (FCC) alloy and intermetallic B2 structure revealed a linear correspondence between the adsorption energies and the d-band center position. The...

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Detalles Bibliográficos
Autores principales: Liu, Ji, Fan, Xiaofeng, Sun, Chang Q., Zhu, Weiguang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793531/
https://www.ncbi.nlm.nih.gov/pubmed/29278392
http://dx.doi.org/10.3390/ma11010033

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793531/
https://www.ncbi.nlm.nih.gov/pubmed/29278392
http://dx.doi.org/10.3390/ma11010033

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