期刊
INORGANIC CHEMISTRY
卷 56, 期 11, 页码 6302-6309出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.7b00395
关键词
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资金
- FP7 European Union (Marie Curie Initial Training Network) [DESTINY/316494]
- Advanced Materials and Devices for Collection and Energy Management project within GSRT's KRIPIS action [MIS:452100]
- European Regional Development Fund of the European Union under NSRF [20072013]
- Regional Operational Program of Attica
- BK21+ programme
- Royal Society
- Department of Energy, Office of Science, Basic Energy Sciences [SC0012541]
We report on the synthesis, characterization, and optoelectronic properties of the novel trimethylsulfonium lead triiodide perovskite, (CH3)(3)SPbI3. At room temperature, the air-stable compound adopts a hexagonal crystal structure with a 1D network of face-sharing [PbI6] octahedra along the c axis. UV-vis reflectance spectroscopy on a pressed pellet revealed a band gap of 3.1 eV, in agreement with first-principles calculations, which show a small separation between direct and indirect band gaps. Electrical resistivity measurements on single crystals indicated that the compound behaves as a semiconductor. According to multi-temperature single-crystal X-ray diffraction, synchrotron powder X-ray diffraction, Raman spectroscopy, and differential scanning calorimetry, two fully reversible structural phase transitions occur at -5 and ca. -100 degrees C with reduction of the unit cell symmetry to monoclinic as temperature decreases. The role of the trimethylsulfonium cation regarding the chemical stability and optoelectronic properties of the new compound is discussed in comparison with APbI(3) (A = Cs, methylammonium, and formamidinium cation), which are most commonly used in perovskite solar cells
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