Acta Phys. -Chim. Sin. ›› 2017, Vol. 33 ›› Issue (9): 1730-1751.doi: 10.3866/PKU.WHXB201705042

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Halide Perovskite Materials for Solar Cells: a Theoretical Review

Yang HUANG1,2,Qing-De SUN1,Wen XU2,Yao HE2,Wan-Jian YIN1,*()   

  1. 1 School Institute for Energy and Materials Innovation, Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu Province, Suzhou 215006, Jiangsu Province, P. R. China
    2 School of Physics and Astronomy, Yunnan University, Kunming 650091, P. R. China
  • Received:2017-03-21 Published:2017-07-05
  • Contact: Wan-Jian YIN
  • Supported by:
    the National Key Research and Development Program of China(2016YFB0700700);National Natural Science Foundation of China(51602211);National Natural Science Foundation of China(11674237);Natural Science Foundation of Jiangsu Province of China(BK20160299)


Halide perovskites have recently emerged as promising materials for low-cost, high-efficiency solar cells. The efficiency of perovskite-based solar cells has increased rapidly, from 3.8% in 2009 to 22.1% in 2016, with the use of all-solid-state thin-film architecture and by engineering cell structures with mixed-halide perovskites. The emergence of perovskite solar cells has revolutionized the field not only because of their rapidly increased efficiency, but also their flexibility in material growth and architecture. The superior performance of the perovskite solar cells suggested that perovskite materials possess intrinsically unique properties. In this review, we summarize recent theoretical investigations into the structural, electrical, and optical properties of halide perovskite materials in terms of their applications in solar cells. We also discuss some current challenges of using perovskites in solar cells, along with possible theoretical solutions.

Key words: Halide perovskites, Solar cells, Theoretical study


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