First-Principles Calculations for the Energetics of the Hydration Reaction of Acceptor-Doped BaZrO3

Author:

Takahashi Hiroki12,Yashima Isamu2,Amezawa Koji3,Eguchi Koichi4,Matsumoto Hiroshige5,Takamura Hitoshi1ORCID,Yamaguchi Shu6

Affiliation:

1. Department of Materials Science, Graduate School of Engineering, Tohoku University, 6-6-02 Aramaki Aza Aoba, Sendai, Miyagi 980-8579, Japan

2. Mitsui Mining & Smelting Co., Ltd., 1333-2 Haraichi, Ageo, Saitama 362-0021, Japan

3. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577, Japan

4. Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto, 615-8510, Japan

5. International Institute for Carbon-Neutral Energy Research (I2CNER), Kyushu University, 744 Motooka, Nishi-ku, Fukuoka, 819-0395, Japan

6. Department of Materials Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,General Chemical Engineering,General Chemistry

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