Exploring a Lead‐free Semiconducting Hybrid Ferroelectric with a Zero‐Dimensional Perovskite‐like Structure |
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Authors: | Dr. Zhihua Sun Aurang Zeb Sijie Liu Chengmin Ji Tariq Khan Dr. Lina Li Prof. Maochun Hong Prof. Junhua Luo |
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Affiliation: | 1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, P.R. China;2. Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, P.R. China;3. University of the Chinese Academy of Sciences, Beijing, P.R. China |
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Abstract: | Perovskite lead halides (CH3NH3PbI3) have recently taken a promising position in photovoltaics and optoelectronics because of remarkable semiconducting properties and possible ferroelectricity. However, the potential toxicity of lead arouses great environmental concern for widespread application. A new chemically tailored lead‐free semiconducting hybrid ferroelectric is reported, N‐methylpyrrolidinium)3Sb2Br9 ( 1 ), which consists of a zero‐dimensional (0‐D) perovskite‐like anionic framework connected by corner‐ sharing SbBr6 coordinated octahedra. It presents a large ferroelectric spontaneous polarization of approximately 7.6 μC cm?2, as well as notable semiconducting properties, including positive temperature‐dependent conductivity and ultraviolet‐sensitive photoconductivity. Theoretical analysis of electronic structure and energy gap discloses a dominant contribution of the 0‐D perovskite‐like structure to the semiconducting properties of the material. This finding throws light on the rational design of new perovskite‐like hybrids, especially lead‐free semiconducting ferroelectrics. |
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Keywords: | band gap ferroelectrics perovskite hybrids phase transitions semiconducting properties |
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