キーワード: First-principles calculations

2 件のレコードが見つかりました。

JAP_submit.pdf
Effectiveness of fluorine termination at nitrogen vacancies inside gallium nitride crystals based on first-principles calculations
ジャーナル論文
著者
Yuki Fujishiro (author) (この著者で検索)
ORCID ;
Tomoe Yayama (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
Fumiko Akagi (author) (この著者で検索)
ORCID
キーワード
Gallium nitride, First-principles calculations, Fluorine termination, Nitrogen vacancies
刊行年月日
2026-02-28
更新時刻
2026-04-03 10:13:47 +0900

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