The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite

Title
The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite
Authors
김종섭이성훈이정훈홍기하
Keywords
CH3NH3PbI3; photovoltaic; defect; unintentional doping; density functional theory
Issue Date
2014-04
Publisher
Journal of Physical Chemistry Letters
Citation
VOL 5, NO 8, 1312-1317
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
http://pubs.kist.re.kr/handle/201004/47436
ISSN
19487185
Appears in Collections:
KIST Publication > Article
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