期刊
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
卷 72, 期 -, 页码 716-722出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2052520616010428
关键词
hybrid organic-inorganic lead iodide; hydrogen bonding; aged MAPbI(3); perovskite; solar cells
资金
- ERC
- ERC Advanced Grant Pico-prop
- [10306/670918]
The crystal structure of the pristine (I) and aged (II) crystals of CH3NH3PbI3 (hereafter MAPbI(3)) hybrid organic-inorganic lead iodide has been studied at 293 K with high-precision single-crystal X-ray diffraction using a synchrotron light source. We show that (I) and (II) are characterized by an identical tetragonal unit cell but different space groups: I422 for (I) and P4(2)2(1)2 for (II). Both space groups are subgroups of I4/ mcm, which is widely used for MAPbI(3). The main difference between (I) and (II) comes from the difference in hydrogen bonds between the MA(+) cation and the PbI3 framework which is the direct consequence of H2O insertion in the aged crystal (II).
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