Density functional theory calculations for cathode materials of proton-conducting solid oxide fuel cells: A mini-review

Density functional theory (DFT) calculations have been widely used to investigate insights for electrochemical materials, but its application in proton-conducting solid oxide fuel cells has just started a few years ago. Despite the limited time, the DFT calculation is regarded as a powerful tool to...

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Bibliographic Details
Main Authors: Zhiruo Tao, Xi Xu, Lei Bi
Format: Article
Language:English
Published: Elsevier 2021-08-01
Series:Electrochemistry Communications
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S1388248121001569