MRM2023/IUMRS-ICA2023

Presentation information

Oral Session

A. Fundamentals » [A-1] New Methodology for Developing Innovative Materials

[A1-O303] Oral 303

Wed. Dec 13, 2023 4:30 PM - 6:50 PM Session 5 (Room E)

Chair: Michiko Kusunoki (Nagoya University)

6:30 PM - 6:50 PM

[A1-O303-05] Discovery of unconventional and synthesizable proton conductive oxides driven by high-throughput first-principles calculations

Susumu Fujii1,2, Yuta Shimizu3, Junji Hyodo3, *Akihide Kuwabara2, Yosihiro Yamazaki3 (1. Osaka Univ. (Japan), 2. Japan Fine Ceramics Center (Japan), 3. Kyushu Univ. (Japan))

Keywords:High-throughput calculation, First-principles calculation, Proton conductive oxide, Diffusion, Point defect, Materials exploration

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