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First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)
http://hdl.handle.net/10228/00007614
http://hdl.handle.net/10228/00007614e0e1de3c-9a6a-4f01-bf4a-35ca8b7cd2fc
名前 / ファイル | ライセンス | アクション |
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RCSLEC09.pdf (534.4 kB)
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Item type | 学術雑誌論文 = Journal Article(1) | |||||||||||
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公開日 | 2020-02-17 | |||||||||||
資源タイプ | ||||||||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
資源タイプ | journal article | |||||||||||
タイトル | ||||||||||||
タイトル | First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I) | |||||||||||
言語 | ||||||||||||
言語 | eng | |||||||||||
著者 |
Zhao, Shuai
× Zhao, Shuai× Yamamoto, Kumiko× 飯久保, 智× 早瀬, 修二× 馬, 廷麗
WEKO
21419
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抄録 | ||||||||||||
内容記述タイプ | Abstract | |||||||||||
内容記述 | Organolead halide perovskite is regarded as the most promising light-harvesting material for next-generation solar cells; however, the intrinsic instability and toxicity of lead are still of great concern. Bismuth is ecofriendly and has electronic properties similar to those of lead, which has gradually attracted interest for optoelectronic applications. However, the valence state of bismuth is different from that of lead, eliminating the possibility of replacing lead by bismuth in organolead halide perovskites. To address this matter, one feasible strategy is to construct B-site double perovskites by the combination of Bi3+ and B+ in 1:1 ratio. In this work, lead-free halide double perovskites of the form Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I) were investigated by first-principles calculations. The electronic properties, optical absorption coefficients, and thermodynamic stability of these compounds were investigated to ascertain their potential application in solar energy conversion. The results provide theoretical support for the exploration of lead-free perovskite materials in potential optoelectronic applications. | |||||||||||
書誌情報 |
Journal of Physics and Chemistry of Solids 巻 117, p. 117-121, 発行日 2018-02-15 |
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出版社 | ||||||||||||
出版者 | Elsevier | |||||||||||
DOI | ||||||||||||
関連タイプ | isVersionOf | |||||||||||
識別子タイプ | DOI | |||||||||||
関連識別子 | https://doi.org/10.1016/j.jpcs.2018.02.032 | |||||||||||
ISSN | ||||||||||||
収録物識別子タイプ | ISSN | |||||||||||
収録物識別子 | 0022-3697 | |||||||||||
著作権関連情報 | ||||||||||||
権利情報 | Copyright (c) 2018 Elsevier Ltd. All rights reserved. | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Lead-free perovskites | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Electronic structure | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Density functional theory | |||||||||||
出版タイプ | ||||||||||||
出版タイプ | AM | |||||||||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||
査読の有無 | ||||||||||||
値 | yes | |||||||||||
連携ID | ||||||||||||
6974 | ||||||||||||
資料タイプ | ||||||||||||
内容記述タイプ | Other | |||||||||||
内容記述 | Journal Article | |||||||||||
著者所属 | ||||||||||||
School of Science, Chongqing University of Technology, Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology |