Art

J-GLOBAL ID：201702237904992938   Reference number：17A1464435

Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO₂ surface for dye-sensitized solar cell applications

色素増感太陽電池応用のためのアナターゼTiO_2表面上のアゾ染料ベース分子の吸着構造と電子構造の密度汎関数理論研究【Powered by NICT】

Author (12)： Prajongtat Pongthep (Department of Materials Science, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand) ,  Suramitr Songwut (Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand) ,  Suramitr Songwut (Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries, KU Institute for Advanced Studies, Kasetsart University, Bangkok 10900, Thailand) ,  Suramitr Songwut (NANOTEC-KU Center of Excellence on Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok, 10900, Thailand) ,  Nokbin Somkiat (Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand) ,  Nokbin Somkiat (Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries, KU Institute for Advanced Studies, Kasetsart University, Bangkok 10900, Thailand) ,  Nokbin Somkiat (NANOTEC-KU Center of Excellence on Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok, 10900, Thailand) ,  Nakajima Koichi (Science Research Center, Hosei University, Chiyoda-ku, Tokyo 102-8160, Japan) ,  Mitsuke Koichiro (Department of Chemistry, Josai University, Keyakidai, Sakado 350-0295, Japan) ,  Hannongbua Supa (Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand) ,  Hannongbua Supa (Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries, KU Institute for Advanced Studies, Kasetsart University, Bangkok 10900, Thailand) ,  Hannongbua Supa (NANOTEC-KU Center of Excellence on Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok, 10900, Thailand)
Material： Journal of Molecular Graphics & Modelling  (J Mol Graph Model)
Volume： 76  Page： 551-561  Publication year： 2017 
JST Material Number： B0044D  ISSN： 1093-3263  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Structural and electronic prop...

Register(free) or Log In to access     To see more with JDream III (charged).   {{ this.onShowAbsJLink("http://jdream3.com/lp/jglobal/index.html?docNo=17A1464435&from=J-GLOBAL&jstjournalNo=B0044D") }}

Thesaurus term： *azo dye ,  steric conformation ,  *adsorption ,  conjugation ,  molecular orbital ,  azo compound ,  *electronic structure ,  *anatase ,  carboxy group ,  *density functional method ,  *coloring matter ,  aliphatic alcohol ,  polyacene ,  aromatic hydrocarbon
Semi thesaurus term： *色素増感太陽電池 , 【Automatic Indexing@JST】

Author keywords (6)： Density functional theory (DFT) ,  Adsorption geometry ,  Interfacial electron transfer ,  Azo dyes ,  Titanium dioxide ,  Dye-sensitized solar cells (DSSCs)

JST classification (2)： Molecular compounds  (CE02000C) ,  Structure-activity relationship of drugs  (GV01050B)

Substance index (3)： Methanol ,  Naphthalene ,  Benzene

Terms in the title (9)： 色素増感太陽電池 ,  応用 ,  アナターゼ ,  アゾ染料 ,  分子 ,  吸着構造 ,  電子構造 ,  密度汎関数理論 ,  研究