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Theoretical study of the influence of doped oxygen group elements on the properties of organic semiconductors
http://hdl.handle.net/10228/00008659
http://hdl.handle.net/10228/00008659d5d6c67a-87b7-4296-899c-e03f9e3cbf94
| 名前 / ファイル | ライセンス | アクション |
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MaLab_2021-7.pdf (904.4 kB)
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| アイテムタイプ | 学術雑誌論文 = Journal Article(1) | |||||||||||||
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| 公開日 | 2021-12-20 | |||||||||||||
| 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 | Theoretical study of the influence of doped oxygen group elements on the properties of organic semiconductors | |||||||||||||
| 言語 | en | |||||||||||||
| 言語 | ||||||||||||||
| 言語 | eng | |||||||||||||
| 著者 |
Liu, Anmin
× Liu, Anmin× Gao, Mengfan× Ma, Yan× Ren, Xuefeng× Gao, Liguo× Li, Yanqiang× 馬, 廷麗
WEKO
21419
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| 抄録 | ||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||
| 内容記述 | Organic semiconductor materials are widely used in the field of organic electronic devices due to their wide variety, low price, and light weight. However, their developments are still restrained by their low stability and carrier mobility. Density functional theory (DFT) was used to study the influence of doped oxygen group elements (O, S, Se, and Te) on the properties of organic semiconductor materials (seven-membered benzothiophene, o-pentacene, thiophene derivatives, and pentacene) in this paper. Based on the calculation of EHOMO, ELUMO, ΔE, and total energy, the performances of organic semiconductor materials without and with doped elements were compared, and it was found that the doping of multi-element Te makes the material have high stability and potential high mobility. For these studied organic semiconductor materials, when the atoms of the doped site change in the order of O, S, Se, and Te, the carrier mobility gradually increases, and the molecules show a tendency of stability. In this paper, promising doping elements and doping methods for these studied molecules are determined through calculations and screening out suitable materials more efficiently and economically without a large amount of repetitive experimental work, which may provide a theoretical basis and guidance for preparing high-performance organic semiconductor materials. | |||||||||||||
| 言語 | en | |||||||||||||
| 書誌情報 |
en : Nanoscale Advances 巻 3, 号 11, p. 3100-3106, 発行日 2021-04-27 |
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| 出版社 | ||||||||||||||
| 出版者 | Royal Society of Chemistry | |||||||||||||
| 言語 | en | |||||||||||||
| DOI | ||||||||||||||
| 関連タイプ | isIdenticalTo | |||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | https://doi.org/10.1039/D0NA01026J | |||||||||||||
| 日本十進分類法 | ||||||||||||||
| 主題Scheme | NDC | |||||||||||||
| 主題 | 549 | |||||||||||||
| ISSN | ||||||||||||||
| 収録物識別子タイプ | EISSN | |||||||||||||
| 収録物識別子 | 2516-0230 | |||||||||||||
| 著作権関連情報 | ||||||||||||||
| 権利情報Resource | http://creativecommons.org/licenses/by-nc/3.0/ | |||||||||||||
| 権利情報 | Copyright (c) 2021 The Author(s). Published by the Royal Society of Chemistry. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. | |||||||||||||
| 出版タイプ | ||||||||||||||
| 出版タイプ | VoR | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||||
| 査読の有無 | ||||||||||||||
| 値 | yes | |||||||||||||
| 連携ID | ||||||||||||||
| 値 | 9905 | |||||||||||||
