結合ポリマーの集合体における適合順序
Nicholas E Jackson1, Kevin L Kohlstedt1, Brett M Savoie1
1†Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.
Journal of the American Chemical Society
|April 30, 2015
まとめ
結合ポリマー構造を理解することは,効率的な有機半導体にとって鍵となる. 結晶性ではなく,局所的な分子順序が,溶媒の相互作用によって影響される,高性能の有機光伏装置にとって極めて重要です.
科学分野:
- オーガニック・エレクトロニクス
- ポリマー科学は,ポリマー科学である.
- 材料化学 材料化学について
背景:
- 結合ポリマーは有機半導体にとって不可欠ですが,その複雑な構造は,そのメソスケール特性の理解を妨げています.
- 化学構造からメソスケールの順序を予測し,効率的なデバイスの形態論を特定することは,依然として課題です.
研究 の 目的:
- 結合ポリマーの分子構造とメソスケール構造および形態学的属性を相関させる.
- ポリマーの溶解性を支配する重要な要因と,有機電子アプリケーションの形態学への影響を特定する.
主な方法:
- 結合ポリマーの正確な古典力場のパラメトリゼーション.
- ポリマーストランドの構成および集積特性を計算するための分子ダイナミクスシミュレーション.
- 構造のクラスと順序とのポリマーデバイスの効率の相関の分析.
主要な成果:
- 分子ダイナミクスシミュレーションでは,実験的に観察されたポリマーの順序を成功裏に再現しました.
- 効率的な有機光伏装置は,さまざまなポリマー構成のクラスを利用しています.
- 遠距離結晶性ではなく,局所的な分子順序化は,デバイスの効率化に不可欠です.
- 静電学ではなく,分散型π電子溶媒-ポリマー相互作用が,ポリマーの溶解性と形態を決定する.
結論:
- 溶液相形態は,有機半導体の性能に大きく影響する.
- 局所的な分子順序は,効率的な有機光伏装置の重要な要件です.
- 溶媒の分散相互作用は,ポリマーの溶解性およびその後の形態学の主要な要因である.
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