期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 8, 期 10, 页码 2119-2125出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.7b00665
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资金
- NSERC of Canada
- Leaders Opportunity Fund from the Canadian Foundation for Innovation
- Early Researcher Award from the Ontario Ministry of Research and Innovation
Formamidinium lead iodide (FAPbI(3)) perovskite as a superior solar cell material was investigated in two polymorphs at high pressures using in situ synchrotron X-ray diffraction, FTIR spectroscopy, photoluminescence (PL) spectroscopy, electrical conductivity (EC) measurements, and ab initio calculations. We identified two new structures (i.e., Imm2 and lmmm) for alpha-FAPbI(3) but only a structural distortion (in C2/c) for delta-FAPbI(3) upon compression. A pressure-enhanced hydrogen bond plays a prominent role in structural modifications, as corroborated by FTIR spectroscopy. PL measurements and calculations consistently show the structure and pressure dependences of the band gap energies. Finally, EC measurements reveal drastically different transport properties of alpha- and delta-FAPbI(3) at low pressures but a common trend to metallic states at high pressures. All of these observations suggest strongly contrasting structural stabilities and pressure-tuned optoelectric properties of the two FAPbI(3) polymorphs.
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