Hydrogen-bond enhancement triggered structural evolution and band gap engineering of hybrid perovskite (C6H5CH2NH3)2PbI4 under high pressure
| Autor: | Xinyi Yang, Wuhao Chen, Can Tian, Fubo Tian, Yanping Huang, Yongfu Liang, Xiaoli Huang |
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| Rok vydání: | 2020 |
| Předmět: |
Phase transition
Materials science Infrared Band gap General Physics and Astronomy 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Chemical physics Phase (matter) Physical and Theoretical Chemistry Isostructural Fourier transform infrared spectroscopy 0210 nano-technology Spectroscopy Perovskite (structure) |
| Zdroj: | Physical Chemistry Chemical Physics. 22:1841-1846 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | 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)2PbI4 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. |
| Databáze: | OpenAIRE |
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