Doping effects on proton incorporation a
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Chunsheng Shi; Masahiko Morinaga
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Article
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2006
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John Wiley and Sons
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English
⚖ 496 KB
## 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