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J-GLOBAL ID：201802241855258292   Reference number：18A1938549

DFT/TD-DFT calculations of the electronic and optical properties of bis-N,N-dimethylaniline-based dyes for use in dye-sensitized solar cells

色素増感太陽電池に使用するためのビス-N,N-ジメチルアニリンベース染料の電子および光学特性のDFT/TD-DFT計算【JST・京大機械翻訳】

Author (8)： El-Meligy Asmaa B. (Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Kom, Egypt) ,  El-Meligy Asmaa B. (Graduate School of Informatics, Nagoya University, Chikusa, Nagoya 464-8601, Japan) ,  Koga Nobuaki (Graduate School of Informatics, Nagoya University, Chikusa, Nagoya 464-8601, Japan) ,  Iuchi Satoru (Graduate School of Informatics, Nagoya University, Chikusa, Nagoya 464-8601, Japan) ,  Yoshida Kumi (Graduate School of Informatics, Nagoya University, Chikusa, Nagoya 464-8601, Japan) ,  Hirao Kimihiko (RIKEN, Advanced Institute for Computational Science, 7-1-26 Minatojima-minami, Chuo, Kobe 650-0047, Japan) ,  Mangood Ahmed H. (Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Kom, Egypt) ,  El-Nahas Ahmed M. (Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Kom, Egypt)
Material： Journal of Photochemistry and Photobiology. A. Chemistry  (J Photochem Photobiol A Chem)
Volume： 367  Page： 332-346  Publication year： 2018 
JST Material Number： D0721B  ISSN： 1010-6030  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： Using density functional theor...

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Thesaurus term： aggregation ,  *optical property ,  density functional method ,  sensitizer ,  electron transfer ,  driving force ,  *coloring matter ,  *dyestuff ,  conjugation ,  time dependence
Semi thesaurus term： 電子注入 ,  光捕集 ,  リンカ ,  環状 ,  *色素増感太陽電池 , 【Automatic Indexing@JST】

Author keywords (6)： DSSC ,  Bis-N N-dimethylaniline-based dyes ,  π-linkers ,  DFT/TD-DFT ,  Light harvesting ,  Electron injection

JST classification (2)： Solar cell  (NC03084O) ,  Photoconduction,photoelectromotive force  (BM03050J)

Terms in the title (8)： 色素増感太陽電池 ,  ビス ,  染料 ,  電子 ,  光学特性 ,  DFT ,  TD-DFT ,  計算