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Combined theoretical and experimental approaches for development of squaraine dyes with small energy barrier for electron injection
http://hdl.handle.net/10228/00006586
http://hdl.handle.net/10228/00006586e4dde850-7bde-44be-910e-9e83fae0fdb0
名前 / ファイル | ライセンス | アクション |
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SEMSC159_625.pdf (599.3 kB)
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Item type | 学術雑誌論文 = Journal Article(1) | |||||||||
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公開日 | 2018-02-27 | |||||||||
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 | Combined theoretical and experimental approaches for development of squaraine dyes with small energy barrier for electron injection | |||||||||
言語 | ||||||||||
言語 | eng | |||||||||
著者 |
パンディ, シャム スディル
× パンディ, シャム スディル
WEKO
6311
× Morimoto, Takuya× Fujikawa, Naotaka× 早瀬, 修二 |
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抄録 | ||||||||||
内容記述タイプ | Abstract | |||||||||
内容記述 | A series of far-red sensitizing squaraine dyes has been systematically designed and synthesized in order to correlate the theoretically calculated values with their corresponding experimental parameters. Efforts have been directed towards determining the minimum thermodynamic energy barrier for the electron injection in the nanoporous TiO2 by logical molecular design. Theoretical calculations using Gaussian program package were performed for ground and excited states in both of the isolated gaseous state as well as in solution including the solvent effect using a self-consistent reaction field polarizable continuum model (PCM). Implementation of the PCM model or use of LSDA functional under TD-DFT calculations gives much better results for energetics as well as absorption maximum for all of the sensitizers used in this work. Newly designed symmetrical squaraine dye SQ-5 exhibits a minimum energy barrier of 0.16 eV for electron injection and shows photon harvesting behavior in far-red region with external photoconversion efficiency of 2.02% under simulated solar irradiation. | |||||||||
書誌情報 |
Solar Energy Materials and Solar Cells 巻 159, p. 625-632, 発行日 2017-01 |
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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 | info:doi/10.1016/j.solmat.2015.10.033 | |||||||||
NCID | ||||||||||
収録物識別子タイプ | NCID | |||||||||
収録物識別子 | AA10827286 | |||||||||
ISSN | ||||||||||
収録物識別子タイプ | ISSN | |||||||||
収録物識別子 | 0927-0248 | |||||||||
ISSN | ||||||||||
収録物識別子タイプ | ISSN | |||||||||
収録物識別子 | 1879-3398 | |||||||||
著作権関連情報 | ||||||||||
権利情報 | Copyright (c) 2015 Elsevier B.V | |||||||||
キーワード | ||||||||||
主題Scheme | Other | |||||||||
主題 | Squaraine dyes | |||||||||
キーワード | ||||||||||
主題Scheme | Other | |||||||||
主題 | Far-red sensitization | |||||||||
キーワード | ||||||||||
主題Scheme | Other | |||||||||
主題 | Dye-sensitized solar cells | |||||||||
キーワード | ||||||||||
主題Scheme | Other | |||||||||
主題 | TD-DFT calculation | |||||||||
キーワード | ||||||||||
主題Scheme | Other | |||||||||
主題 | Energy barrier | |||||||||
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 | |||||||||
研究者情報 | ||||||||||
https://hyokadb02.jimu.kyutech.ac.jp/html/332_ja.html | ||||||||||
論文ID(連携) | ||||||||||
10301992 | ||||||||||
連携ID | ||||||||||
6618 | ||||||||||
資料タイプ | ||||||||||
内容記述タイプ | Other | |||||||||
内容記述 | Journal Article | |||||||||
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 | ||||||||||
情報源 | ||||||||||
識別子タイプ | DOI | |||||||||
関連識別子 | https://doi.org/10.1016/j.solmat.2015.10.033 | |||||||||
関連名称 | https://doi.org/10.1016/j.solmat.2015.10.033 |