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Substitution and proton doping effect on SrZrO3 behaviour: high-pressure Raman study

✍ Scribed by Aneta Slodczyk; Marie-Hélène Limage; Philippe Colomban; Oumaya Zaafrani; Frédéric Grasset; Johan Loricourt; Béatrice Sala


Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
401 KB
Volume
42
Category
Article
ISSN
0377-0486

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## Abstract The doping effects on the proton incorporation and protonic conductivity of perovskite‐type SrZrO~3~ were investigated using the density functional theory (DFT) with the generalized gradient approximation (GGA). The optimized geometries, formation energies of hydrogen defect and activat