キーワード: First-principles calculations

2 件のレコードが見つかりました。

1-s2.0-S0169433222035930-main.pdf
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
ジャーナル論文
著者
Tomoaki Kaneko (author) (この著者で検索)
National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)
ORCID ;
Yui Fujihara (author) (この著者で検索)
Tohoku university Institute of Multidisciplinary Research for Advanced Materials
ORCID ;
Hiroaki Kobayashi (author) (この著者で検索)
Tohoku university Institute of Multidisciplinary Research for Advanced Materials
ORCID ;
Keitaro Sodeyama (author) (この著者で検索)
National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)
ORCID SAMURAI
キーワード
Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
刊行年月日
2022-12-17
更新時刻
2024-01-05 22:13:50 +0900

ZrO2_Arai_eJSSNT_2025.pdf
Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO<sub>2</sub> Revealed by First-principles Calculations
ジャーナル論文
著者
Shungo Arai (author) (この著者で検索)
;
Koji Shimizu (author) (この著者で検索)
;
Anh Khoa Augustin Lu (author) (この著者で検索)
ORCID SAMURAI ;
Hiroshi Masuda (author) (この著者で検索)
;
Hidehiro Yoshida (author) (この著者で検索)
;
Satoshi Watanabe (author) (この著者で検索)
キーワード
Born effective charges, First-principles calculations, Grain Boundary
刊行年月日
2025-08-23
更新時刻
2026-05-01 15:27:40 +0900