講演名 | 2008-10-09 Tight-Binding Quantum Chemistry Study on Excitation Properties of Perylene with Acrylic Acid on Anatase (001) Surface , |
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抄録(和) | |
抄録(英) | The dye-sensitize solar cell (DSSCs) attracted considerable attentions because of potentially low cost. Organic dye sensitizers have been recognized as one of the most important parts for DSSCs to reduce the cost and improve the performance. In addition, computational predication in advance and subsequent synthesis of the ultimately tailor dye sensitizers is also an alternative approach to reduce the cost. However, the high computational cost of conventional computational method limited the study on large-scale DSSCs. Hence, tight-binding quantum chemistry method was developed to challenge electronic properties and excitation spectra of the complicated dye-sensitized TiO_2 systems. |
キーワード(和) | |
キーワード(英) | Tight-binding quantum chemistry method / anatase (001) surface / perylene with acrylic acid |
資料番号 | SDM2008-154 |
発行日 |
研究会情報 | |
研究会 | SDM |
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開催期間 | 2008/10/2(から1日開催) |
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委員長氏名(和) | |
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幹事氏名(和) | |
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幹事補佐氏名(和) | |
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講演論文情報詳細 | |
申込み研究会 | Silicon Device and Materials (SDM) |
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本文の言語 | ENG |
タイトル(和) | |
サブタイトル(和) | |
タイトル(英) | Tight-Binding Quantum Chemistry Study on Excitation Properties of Perylene with Acrylic Acid on Anatase (001) Surface |
サブタイトル(和) | |
キーワード(1)(和/英) | / Tight-binding quantum chemistry method |
第 1 著者 氏名(和/英) | / Chen LV |
第 1 著者 所属(和/英) | Department of Applied Chemistry, Graduate School of Engineering, Tohoku University |
発表年月日 | 2008-10-09 |
資料番号 | SDM2008-154 |
巻番号(vol) | vol.108 |
号番号(no) | 236 |
ページ範囲 | pp.- |
ページ数 | 2 |
発行日 |