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论文类型：期刊论文

发表时间：2018-02-01

发表刊物：JOURNAL OF ELECTROANALYTICAL CHEMISTRY

收录刊物：SCIE、EI

卷号：810

页面范围：11-17

ISSN号：1572-6657

关键字：Inorganic-organic halide perovskite; Carrier mobility; Anisotropy; Recombination energy; Electronic coupling integral

摘要：High mobility, which is highly relevant to crystal structures, is one of the predominant superiorities of organic inorganic halide perovskites. However, the anisotropy of carrier mobility for this photoelectric material on different crystal planes is still unclear. Based on Marcus theory and Density Functional Theory, we investigated the anisotropy of carrier mobility by calculating the intramolecular vibration (namely, internal recombination energy lambda) and intermolecular electronic coupling integral V along a representative crystal plane. Results show that the electrons and holes exhibit consistency in the transport orientations that are parallel to the (010), (101), and (110) crystal planes. However, inconsistency was observed in those parallel to the (111) and (001) crystal planes (with an angle of approximately 60 degrees) between the electron and hole transport directions This condition is unfavorable to the balancing of the transport and collection of photoinduced carriers. Our work reveals the theoretical significance of control-oriented growth of perovskites.