Defect and dopant properties in CaMnO3

CaMnO3-based ceramics have been the subject of considerable research due to their potential application in solid oxide fuel cells, thermoelectric generators, and catalysis. The computational modeling technique based on the classical pair-wise potentials has allowed atomic-scale insights into the def...

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Bibliographic Details
Main Authors: Navaratnarajah Kuganathan, Alexander Chroneos
Format: Article
Language:English
Published: AIP Publishing LLC 2021-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0048401