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J-GLOBAL ID：201702241735778815   Reference number：17A1496992

A molecular heterojunction of zinc phthalocyanine and peanut-shaped fullerene polymer: A density functional study

亜鉛フタロシアニンとピーナッツ型フラーレンポリマーの分子ヘテロ接合:密度汎関数研究【Powered by NICT】

Author (8)： Tanikawa Kousei (Department of Physics, Graduate School of Engineering, Yokohama National University, Yokohama 240-8501, Japan) ,  Ohno Kaoru (Department of Physics, Graduate School of Engineering, Yokohama National University, Yokohama 240-8501, Japan) ,  Noda Yusuke (Center for Materials research by Information Integration (CMI2), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan) ,  Ono Shota (Department of Electrical, Electronic, and Computer Engineering, Gifu University, Gifu 501-1193, Japan) ,  Kuwahara Riichi (Dassault Systemes BIOVIA K.K., ThinkPark Tower, 2-1-1 Osaki, Shinagawa-ku, Tokyo 141-6020, Japan) ,  Takashima Akito (Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara, Kanagawa 252-5258, Japan) ,  Nakaya Masato (Department of Energy Science and Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan) ,  Onoe Jun (Department of Energy Science and Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 686  Page： 68-73  Publication year： 2017 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： We have performed first-princi...

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Thesaurus term： *density functional method ,  focusing (light) ,  first principle ,  conductive property ,  *Arachis hypogaea ,  energy gap ,  electronic structure ,  *heterojunction ,  isomer (molecule) ,  organic solar cell
Semi thesaurus term： 局在化 ,  密度汎関数計算 , 【Automatic Indexing@JST】

JST classification (2)： Photoconduction,photoelectromotive force  (BM03050J) ,  Photochemistry in general  (CB08010U)

Terms in the title (6)： 亜鉛フタロシアニン ,  ピーナッツ ,  分子 ,  ヘテロ接合 ,  密度汎関数 ,  研究