直帯間隔2D銀-ビスムートイオジドダブルペロブスキート: オリゴチオフェンスペーサーカチオンの構造指向的影響
Manoj K Jana1, Svenja M Janke1,2, David J Dirkes3
1Department of Mechanical Engineering and Materials Science , Duke University , Durham , North Carolina 27708 , United States.
Journal of the American Chemical Society
|April 25, 2019
まとめ
研究者らは,新しい無鉛2DAg-バイヨイドダブルペロブスキットを開発し,光電子アプリケーションの安定性の課題を克服しました. この新しい材料は 帯域の隙間を直接開き,先進的な太陽エネルギー変換技術への道を切り開きます.
科学分野:
- 材料科学
- 固体化学
- 光電子機器
背景:
- 三次元 (3D) ハイブリッド有機-無機鉛ハリドペロブスキート (HOIP) は太陽エネルギーにとって有望ですが,安定性と毒性の問題に直面しています.
- 二次元 (2D) のHOIPは,鉛のない二重ペロブスキット (DPs) が主要なターゲットとして,安定性と調製性を向上させます.
- バンドギャップが少ない2D混合金属ヨウ素DPの達成は,不安定性と相競争のために困難でした.
研究 の 目的:
- 最初の2D Ag-Bi iodide ダブルペロブスキットを合成し,特徴づけました.
- 新しい2DHOIPの安定化のために特別に設計された有機カチオンの使用を検討する.
- 潜在的応用のための新しい材料の光電子特性と電子構造を調査する.
主な方法:
- バイ機能化されたオリゴチオフェンカチオンによってテンプレートされた2次元Ag-Biヨウ素DPの合成.
- バンドギャップ測定を含む材料の構造と光電子特性に関する特徴.
- ハイブリッド密度関数理論 (DFT) の計算により,電子帯域構造が解明される.
主要な成果:
- 最初の2DアグビオイドDPの合成が成功しました
- 2.00(2) eVの直接帯域ギャップの実験的決定
- DFT計算は,直接の帯域ギャップを確認し,帯域のエッジに責任を持つ主要な電子状態 (Ag-d/I-pとBi-p/I-p) を特定した.
結論:
- この研究は,設計されたオリゴチオフェンカチオンによって安定した新しい無鉛2DAg-Biヨウ素DPを提示しています.
- この材料は,光電子アプリケーションのための有望な直接帯域間隔特性を示しています.
- この研究は,オーガニック・キャチオン・デザインによる,以前はアクセス不可能な2D HOIPへのアクセス戦略を示しています.
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