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Trends in Surface Oxygen Formation Energy in Perovskite Oxides

Authors :
Yoyo Hinuma
Shinya Mine
Takashi Toyao
Ken-ichi Shimizu
Source :
ACS omega. 7(22)
Publication Year :
2022

Abstract

Perovskite oxides comprise an important class of materials, and some of their applications depend on the surface reactivity characteristics. We calculated, using density functional theory, the surface O vacancy formation energy (

Details

ISSN :
24701343
Volume :
7
Issue :
22
Database :
OpenAIRE
Journal :
ACS omega
Accession number :
edsair.doi.dedup.....22ea737f966bbe53ea4654fd74ec21c5