Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 33(20), p. 21685-21692
DOI: 10.1039/c8cp04392b
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Unveiling the effects of A-site substitutions on the oxygen ion migration in A2−xA′xNiO4+δ by first principles calculations
Journal article published in 2018 by
Zhihong Du 
,
Zijia Zhang,
Anna Niemczyk,
Anna Olszewska ,
Ning Chen,
Konrad Świerczek ,
Hailei Zhao
,
Zijia Zhang,
Anna Niemczyk,
Anna Olszewska ,
Ning Chen,
Konrad Świerczek ,
Hailei Zhao
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Abstract
First principles calculations unveil the effects of A-site substitutions on the interstitial oxygen formation and migration energy in A2−xA′xNiO4+δ.