Hydrogen-bond enhancement triggered structural evolution and band gap engineering of hybrid perovskite (C6H5CH2NH3)2PbI4 under high pressure

被引：23

作者：

Tian, Can ^{[1
]}

Liang, Yongfu ^{[1
]}

Chen, Wuhao ^{[1
]}

Huang, Yanping ^{[1
]}

Huang, Xiaoli ^{[1
]}

Tian, Fubo ^{[1
]}

Yang, Xinyi ^{[1
]}

机构：

[1] Jilin Univ, Coll Phys, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2020年 / 22卷 / 04期

基金：

国家重点研发计划; 中国国家自然科学基金;

关键词：

VISIBLE-LIGHT RESPONSE; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURES; AMORPHIZATION; 3D;

D O I：

10.1039/c9cp05904k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Hybrid organic-inorganic perovskites (HOIPs) have gained substantial attention due to their excellent photovoltaic and optoelectronic properties. Herein, we comprehensively investigate a typical two-dimensional (2D) hybrid perovskite (C6H5CH2NH3)(2)PbI4 to track its structural and band gap evolution applied by the maximum pressure of 27.2 GPa. Remarkably, an unprecedented band gap narrowing down to the Shockley-Queisser limit is observed upon compression to 20.1 GPa. Two phase transitions have been observed during this process: the ambient Pbca phase converts into the Pccn phase at 4.6 GPa and then undergoes an isostructural phase transition at 7.7 GPa. The Fourier Transform Infrared (FTIR) spectroscopy reveals that pressure-enhanced hydrogen bonding plays an important role in structural modifications and band gap variations. This work not only enables high pressure as a clean tool to tune the structure and band gap of hybrid perovskite, but also maps a pioneering route towards realizing ideal photovoltaic materials-by-design.

引用

页码：1841 / 1846

页数：6

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