八面体
极化(电化学)
化学
铁电性
电场
再分配(选举)
拉曼光谱
激发极化
压电
结晶学
凝聚态物理
化学物理
载流子
光电子学
产量(工程)
超晶格
流离失所(心理学)
极化密度
异质结
纳米尺度
失真(音乐)
电子结构
分子物理学
去极化
电化学
光催化
扩展X射线吸收精细结构
吸收光谱法
氧气
变形(气象学)
电荷密度
作者
Na Liang,Qian Jiang Zhu,Mengpei Jiang,Xianglin Hou,Zhiyu Shao,Shao-Hua Wang,Yuzhou He,Wanyu Zhang,Ruisheng Huang,Yaowen Zhang,Huijuan Yue,Xiaofeng Wu,Jun Chen,Keke Huang,Shouhua Feng
摘要
Precise modulation of polarization vector alignment through chemical synthesis strategies remains challenging for designing high-performance ferroelectric photocatalysts. Herein, the proposed Jahn-Teller distortion-mediated mechanism resolves the polarization disorder by elongating MnO6 octahedra to drive the coordinated displacement of neighboring atoms along a uniform direction without an external electric field. Specifically, the localized charge of Mn is modulated via redistribution with oxygen ligands, thereby achieving an optimal electronic configuration (Mn t2g3eg1) that induces a maximal Jahn-Teller distortion, as confirmed by X-ray absorption and Raman spectroscopies. Notably, atomic pair distribution functions demonstrate that the structural evolution of the Jahn-Teller unit directly propels displacement of Fe and O atoms along the [001̅] crystallographic direction, which intensifies the asymmetric deformation of FeO6 octahedra, forming an oriented polarization. Consequently, the rapid separation of carriers driven by the depolarization electric field motivates the conversion from CO2 to CO with a yield of 30.51 μmol g-1 h-1 under pure water conditions, which is almost five times that of the original BiFeO3. This study proposes an innovative strategy to modulate the polarization vector via Jahn-Teller distortion, offering insights into the development of ferroelectric photocatalysts from the perspective of the electronic structure.
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