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Unraveling the effect of La A-site substitution on oxygen ion diffusion and oxygen catalysis in perovskite BaFeO₃ by data-mining molecular dynamics and density functional theory

Title data

Chen, Chi ; Baiyee, Zarah Medina ; Ciucci, Francesco:
Unraveling the effect of La A-site substitution on oxygen ion diffusion and oxygen catalysis in perovskite BaFeO₃ by data-mining molecular dynamics and density functional theory.
In: Physical Chemistry Chemical Physics. Vol. 17 (2015) Issue 37 . - pp. 24011-24019.
ISSN 1463-9084
DOI: https://doi.org/10.1039/c5cp03973h

Official URL: Volltext

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science
Faculties > Faculty of Engineering Science > Professor Electrode Design of Electrochemical Energy Storage Systems > Professor Electrode Design of Electrochemical Energy Storage Systems - Univ.-Prof. Dr. Francesco Ciucci
Faculties
Faculties > Faculty of Engineering Science > Professor Electrode Design of Electrochemical Energy Storage Systems
Result of work at the UBT: No
DDC Subjects: 600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 11 Apr 2023 06:45
Last Modified: 14 Apr 2023 06:53
URI: https://eref.uni-bayreuth.de/id/eprint/75655