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First-principles calculation of prevailing faces of α-PbO2-type TiO2
First-principles calculation of prevailing faces of α-PbO2-type TiO2
2005
Ming-Yu Kuo
Cheng-Lung Chen
Hsiao-Ching Yang
Chih-Yu Hua
Pouyan Shen
Keywords:
Atomic physics
Condensed matter physics
First principle
Surface energy
Physics
Density functional theory
surface structure
Correction
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