Download file (446KB)
Download as zip (431KB)

コレクション

引用

説明:

All-electron GW approach based on the many-body perturbation theory was adopted to determine the electronic structures and understand the mechanism of band gap narrowing for anatase TiO2 doped with light elements (such as C and N) and its various defect states. It is clearly shown that the band gap could be controlled by the oxygen pressure and doping states, and C, N codoping narrowed the band gap more than monodoping.

権利情報:

• In Copyright
  

キーワード: all-electron GW calculation, light-Element-Doped Anatase TiO2, photocatalytic material, anatase

刊行年月日: 2024-04-01

出版者: 東北大学 金属材料研究所

掲載誌:

• IMR KINKEN Research Highlights 2024 (ISSN: 18830315)

研究助成金:

• JSPS 21H01607, 21H01877, 21H04603

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://www.imr.tohoku.ac.jp/ja/public/publications/krh/

関連資料:

その他の識別子:

連絡先:

更新時刻: 2024-08-08 16:30:18 +0900

MDRでの公開時刻: 2024-08-08 16:30:18 +0900