Combined Neural Network Potential and Density Functional Theory Study of TiAl 2 O 5 Surface Morphology and Oxygen Reduction Reaction Overpotentials

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Bibliographic Details
Published in:Journal of physical chemistry. C 2020-07, Vol.124 (28), p.15171-15179
Main Authors: Groenenboom, Mitchell C., Anderson, Rachel M., Wollmershauser, James A., Horton, Derek J., Policastro, Steven A., Keith, John A.
Format: Article
Language:English
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ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.0c02093