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  1. B200 工学部/工学研究科
  2. B200a 雑誌掲載論文
  3. 学術雑誌

Spectroscopic and theoretical studies on the structural, electronic, and optical properties of zinc octaethylporphyrin/C60 co-deposited films

http://hdl.handle.net/2237/00027901
http://hdl.handle.net/2237/00027901
83c0ef13-4886-470a-a178-b00e1415c7ca
名前 / ファイル ライセンス アクション
1_5005068.pdf 1_5005068 (15.8 MB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2018-04-16
タイトル
タイトル Spectroscopic and theoretical studies on the structural, electronic, and optical properties of zinc octaethylporphyrin/C60 co-deposited films
言語 en
著者 Onoe, Jun

× Onoe, Jun

WEKO 76068

en Onoe, Jun

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Watanabe, Shinta

× Watanabe, Shinta

WEKO 76069

en Watanabe, Shinta

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Kato, Shiro

× Kato, Shiro

WEKO 76070

en Kato, Shiro

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Nakaya, Masato

× Nakaya, Masato

WEKO 76071

en Nakaya, Masato

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Bucher, Jean-Pierre

× Bucher, Jean-Pierre

WEKO 76072

en Bucher, Jean-Pierre

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アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
抄録
内容記述 We have examined the structural, electronic, and optical properties of zinc-octaethylporphyrin [Zn(OEP)]/C60 co-deposited films to elucidate the donor (D)–acceptor (A) interactions at the D/A interface of heterojunction organic solar cells (OSCs), using Fourier-transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), ultraviolet-visible (UV–vis) spectroscopy, and photoluminescence (PL) spectroscopy in combination with first-principles and semi-empirical calculations. The FT-IR and XRD results indicated that Zn(OEP) and C60 were mixed with each other at the molecular level in the co-deposited film. The theoretical calculations suggested that in the interfacial region, it is energetically preferable for the C60 molecule to face the center of the planar structure of Zn(OEP) at a distance of 2.8 Å rather than the edge of the structure at a distance of 5.0 Å. After consideration of the C60 solvent effects, this coordination model for C60–Zn(OEP) adequately explained the line shift of the UV–vis peaks with respect to the proportion of C60 in the co-deposited films. A comparison of the energy level diagrams of Zn(OEP) before and after the interaction with C60 revealed that the LUMO, HOMO, and HOMO-1 were significantly affected by the interaction with C60. In particular, the HOMO-1 wave function became spread over a portion of C60, although the charge transfer between Zn(OEP) and C60 was almost negligible. Since no PL peaks (S1 → S0) from the excited Soret band of Zn(OEP) were observed for the Zn(OEP)/C60 co-deposited films, the D/A mixing layers played a crucial role in completely dissolving the photogenerated excitons to electrons-hole pairs that cause the short-circuit current, which is relevant to improving the energy conversion efficiency of OSCs.
言語 en
内容記述タイプ Abstract
内容記述
内容記述 ファイル公開:2018-12-07
言語 ja
内容記述タイプ Other
出版者
言語 en
出版者 AIP Publishing
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1063/1.5005068
ISSN
収録物識別子タイプ PISSN
収録物識別子 0021-9606
書誌情報 en : The Journal of Chemical Physics

巻 147, 号 21, p. 214701, 発行日 2017-12-07
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