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Calculation of Oxygen Defect Structure in Layered GdBaCo2O5+δ By First-Principles DFT With Monte Carlo Simulations

Tuesday, October 29, 2013
Grand Ballroom, Tower 2, Grand Ballroom Level (Hilton San Francisco Union Square)
Hiromasa Shiiba , Nagoya Institute of Technology
Masanobu Nakayama , Japan Science and Technology Agency, PRESTO, Nagoya, Japan
Toshihiro Kasuga , Nagoya Institute of Technology
Robin W Grimes , Imperial College London
John A. Kilner , Imperial College London, Fukuoka, Japan

Abstract:

  • A1-0052 (289.8KB) - Abstract Text