Mechanistic insights into the origin of the oxygen migration barrier

Mechanistic insights into the origin of the oxygen migration barrier

Oxygen ion conductors require high temperatures to exhibit the high ion conductivity needed for practical use. In this work, we related oxygen vacancy formation energy and migration barrier to the electronic structure of perovskites using ab initio simulations. The vacancy formation energy increases...

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Bibliographic Details
Main Authors: Vivona, Daniele, Gordiz, Kiarash, Meyer, Randall, Raman, Sumathy, Shao-Horn, Yang
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering
Format: Article
Language:en_US
Published: Royal Society of Chemistry 2024
Online Access:https://hdl.handle.net/1721.1/156078

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