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Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109148
Abstract: Abstract Although controversy over the crystal structure of Ta2O5 has been resolved by the recently discovered energetically favorable orthorhombic λ phase model, the studies on its material properties are in the beginning stage. Among such…
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Keywords:
energy barrier;
migration energy;
orthorhombic phase;
oxygen vacancy ... See more keywords