ハイブリッド層の二重ペロブスキートハリドの化学的および構造的多様性
Lingling Mao, Samuel M L Teicher, Constantinos C Stoumpos1
1Department of Materials Science and Technology , University of Crete , Vassilika Voutes GR-700 13 Heraklion , Greece.
Journal of the American Chemical Society
|November 8, 2019
まとめ
オーガニックカチオンを使用して7つの新しい二重ペロブスキートハライドが合成され,調節可能な性質を提供した. これらの材料は多用途のバンドギャップを示し,ペロブスキート研究における構造特性の理解を進めています.
科学分野:
- 材料科学
- 固体化学
- クリスタルグラフィー
背景:
- ハリド二重ペロブスキットは,その多様な構造と特性により関心を得ています.
- 二次元 (2D) 誘導体は,3D ダブルペロブスキットに有機間隔カチオンを組み込むことで形成される.
研究 の 目的:
- 7つの新しい二重層ペロブスキートハライドの合成と特徴を報告する.
- これらの新材料の構造的および電子的性質の調節性を調査する.
主な方法:
- プロピラモニウム (PA),オクティラモニウム (OCA),および1,4-ブチルアモニウム (BDA) カチオンを用いた二重ペロブスキートハライドの合成.
- X線 difraktion,光発光スペクトロスコピー (100 K) と密度関数理論 (DFT) の計算を用いた特徴付け.
主要な成果:
- 一般的な式であるAmMIMIIIX8とPA2CsMIMIIIBr7を持つ7つの新しい化合物が特定されました.
- 調節可能な層の厚さ,層間の距離,およびバンドギャップ (2. 41 eVから3. 96 eV) が観察されました.
- DFTの計算は,構成に基づくバンドギャップの進化を洞察した.
結論:
- 合成された二重ペロブスキートハライドは,構造的および電子的調節性を有する.
- これらの発見は,この材料の構造-特性関係の理解を高めます.
- これらの複合物の多用途性により 素材のデザインに 合わせる可能性が生まれます
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