Thermodynamic Properties in Organic-inorganic Hybrid Perovskite
Satoshi Iikubo a, Kumiko Yamamoto a, Jun Yamasaki a, Shoya Kawano a, Shuzi Hayase a
a Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, 808-0196, Japan
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
Proceedings of International Conference on Perovskite and Organic Photovoltaics and Optoelectronics (IPEROP19)
Kyōto-shi, Japan, 2019 January 27th - 29th
Organizers: Hideo Ohkita, Atsushi Wakamiya and Mohammad Nazeeruddin
Poster, Satoshi Iikubo, 060
Publication date: 23rd October 2018

Organic-inorganic hybrid perovskite compound CH3NH3PbIshows the excellent properties for the solar cell, such as the high photoelectric conversion efficiency as well as the printable preparation process. The stability of the hybrid perovskite structure in the extended temperature and composition region attracts enormous interest not only for optimizing the physical properties as a solar cell material, but also to find novel properties in the field of material science.In this study, thermodynamic properties in organic-inorganic hybrid perovskite, especially phase separation behavior was investigated by means ofthe Cluster Variation Method, considering the finite temperature effect of atomic configuration.

As a result of the calculation, theseveral mixed B-cation perovskitesystemswere found to show a strong tendency to phase separation, for example between CH3NH3PbIand CH3NH3SnIat low temperature [1], this might yield a compositional modulation in the perovskite structure. Experimentally observed solid solution can be considered as a result of entropic stabilization at a finite temperature. On the other hand, such phase separation behavior was not observed in mixed A-cation perovskite system, which showsstrong tendency to ordering behavior at low temperatureinstead. We will discuss a difference in the stability of the organic-inorganic hybrid perovskitestructures between mixed B-cation perovskite and mixed A-cation perovskitefrom the viewpointof the thermodynamic properties.

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