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

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 (Ead) 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 ca...

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Bibliographic Details
Main Authors: Sun, Chang Qing, Zhu, Weiguang, Liu, Ji, Fan, Xiaofeng
Other Authors: School of Electrical and Electronic Engineering
Format: Journal Article
Language:English
Published: 2018
Subjects:
ORR
Intermetallic
Online Access:https://hdl.handle.net/10356/87403
http://hdl.handle.net/10220/44405

Internet

https://hdl.handle.net/10356/87403
http://hdl.handle.net/10220/44405

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