Proceedings of 6th International Conference on Hybrid and Organic Photovoltaics (HOPV14)
Publication date: 1st March 2014
Hyrbrid perovskite materials CH3NH3PbI3(MAPI) and CH3NH3PbI2Cl (MAPIC) are used as optically active components in high efficiency solution processed solar cells. Within the perovskite crystal structure the methyl ammonium (MA) ions are caged between lead halide octahedra. The MA ions are electrical dipoles which have the potential to contribute to ferroelectric properties of the material. These ions are also speculated to play a critical role in the stability and hysteresis of MAPI and MAPIC photovoltaic devices.
We present neutron diffraction and quasi-inelastic neutron scattering (QENS) data to examine the structure and behaviour of the MA ions in MAPI and MAPIC for the temperature range 7 – 380 K. Neutron diffraction allows the crystal positions of hydrogen nuclei to be determined which cannot be easily achieved using X-ray diffraction. Two crystalline phase transitions are observed at 150-170 K and ~ 350 K. QENS focusses on the dynamic motion of hydrogen nuclei within the structure. The data consistent with the rotation of the hydrogen ions around the C-N axis are observed, and above 160 K additional motion potentially consistent with rotation of C-N axis. Activation energies for these rotational movements is estimated, and the possible implications for the material performance considered.
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