Authors
Citation
L. Minervini et al., Oxygen migration in La2NiO4+delta, J MAT CHEM, 10(10), 2000, pp. 2349-2354
Citations number
49
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
JOURNAL OF MATERIALS CHEMISTRY
ISSN journal
09599428
→ ACNP
Volume
10
Issue
10
Year of publication
2000
Pages
2349 - 2354
Database
ISI
SICI code
0959-9428(2000)10:10<2349:OMIL>2.0.ZU;2-B
Abstract
Atomic scale computer simulation based on energy minimization techniques ha
s been used to study excess oxygen accommodation and migration in La2NiO4+d
elta. The activation energy for migration in the ac plane is predicted to b
e 0.29 eV, while the activation energy outside the ac plane, in the b direc
tion is predicted to be 2.90 eV. The activation energies within the ac plan
e are unaffected by the presence of compensating Ni3+ defects.