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The role of intrinsic defects in methylammonium lead iodide perovskite Highly Cited Paper

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Title
The role of intrinsic defects in methylammonium lead iodide perovskite
Author(s)
Kim, J.; Sung Hoon Lee; Lee, J.H.; Hong, K.H.
Publication Date
2014-04
Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.5, no.8, pp.1312 - 1317
Publisher
AMER CHEMICAL SOC
Abstract
One of the major merits of CH3NH3PbI3 perovskite as an efficient absorber material for the photovoltaic cell is its long carrier lifetime. We investigate the role of the intrinsic defects of CH3NH3PbI3 on its outstanding photovoltaic properties using density-functional studies. Two types of defects are of interest, i.e., Schottky defects and Frenkel defects. Schottky defects, such as PbI2 and CH3NH3I vacancy, do not make a trap state, which can reduce carrier lifetime. Elemental defects like Pb, I, and CH3NH3 vacancies derived from Frenkel defects act as dopants, which explains the unintentional doping of methylammonium lead halides (MALHs). The absence of gap states from intrinsic defects of MALHs can be ascribed to the ionic bonding from organic-inorganic hybridization. These results explain why the perovskite MALHs can be an efficient semiconductor, even when grown using simple solution processes. It also suggests that the n-/p-type can be efficiently manipulated by controlling growth processes.
URI
https://pr.ibs.re.kr/handle/8788114/1520
ISSN
1948-7185
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Center for Artificial Low Dimensional Electronic Systems(원자제어 저차원 전자계 연구단) > Journal Papers (저널논문)
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