Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials
Abstract
Lead halide perovskites have recently emerged as promising absorbers for fabricating low-cost and high-efficiency thin-film solar cells. The record power conversion efficiency of lead halide perovskite-based solar cells has rapidly increased from 3.8% in 2009 to 22.1% in early 2016. Such rapid improvement is attributed to the superior and unique photovoltaic properties of lead halide perovskites, such as the extremely high optical absorption coefficients and super-long photogenerated carrier lifetimes and diffusion lengths that are not seen in any other polycrystalline thin-film solar cell materials. In the past a few years, theoretical approaches have been extensively applied to understand the fundamental mechanisms responsible for the superior photovoltaic properties of lead halide perovskites and have gained significant insights. Here, this review article highlights the important theoretical results reported in literature for the understanding of the unique structural, electronic, optical, and defect properties of lead halide perovskite materials. For comparison, we also review the theoretical results reported in literature for some lead-free perovskites, double perovskites, and nonperovskites.
- Authors:
-
[1]
- Univ. of Toledo, OH (United States). Wright Center for Photovoltaic Innovation and Commercialization
- Publication Date:
- Research Org.:
- Duke Univ., Durham, NC (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office; National Science Foundation (NSF)
- OSTI Identifier:
- 1593757
- Alternate Identifier(s):
- OSTI ID: 1376968
- Grant/Contract Number:
- EE0006712; CHE-1230246; DMR-1534686
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Energy Materials
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 22; Journal ID: ISSN 1614-6832
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY; metal halide perovskites; photovoltaics; solar cells; theoretical studies
Citation Formats
Xiao, Zewen, and Yan, Yanfa. Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials. United States: N. p., 2017.
Web. doi:10.1002/aenm.201701136.
Xiao, Zewen, & Yan, Yanfa. Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials. United States. https://doi.org/10.1002/aenm.201701136
Xiao, Zewen, and Yan, Yanfa. Fri .
"Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials". United States. https://doi.org/10.1002/aenm.201701136. https://www.osti.gov/servlets/purl/1593757.
@article{osti_1593757,
title = {Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials},
author = {Xiao, Zewen and Yan, Yanfa},
abstractNote = {Lead halide perovskites have recently emerged as promising absorbers for fabricating low-cost and high-efficiency thin-film solar cells. The record power conversion efficiency of lead halide perovskite-based solar cells has rapidly increased from 3.8% in 2009 to 22.1% in early 2016. Such rapid improvement is attributed to the superior and unique photovoltaic properties of lead halide perovskites, such as the extremely high optical absorption coefficients and super-long photogenerated carrier lifetimes and diffusion lengths that are not seen in any other polycrystalline thin-film solar cell materials. In the past a few years, theoretical approaches have been extensively applied to understand the fundamental mechanisms responsible for the superior photovoltaic properties of lead halide perovskites and have gained significant insights. Here, this review article highlights the important theoretical results reported in literature for the understanding of the unique structural, electronic, optical, and defect properties of lead halide perovskite materials. For comparison, we also review the theoretical results reported in literature for some lead-free perovskites, double perovskites, and nonperovskites.},
doi = {10.1002/aenm.201701136},
journal = {Advanced Energy Materials},
number = 22,
volume = 7,
place = {United States},
year = {2017},
month = {8}
}
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journal, April 2020
- Park, Nam‐Gyu
- Advanced Energy Materials, Vol. 10, Issue 13
All-inorganic cesium lead iodide perovskite solar cells with stabilized efficiency beyond 15%
journal, October 2018
- Wang, Kang; Jin, Zhiwen; Liang, Lei
- Nature Communications, Vol. 9, Issue 1
Strain engineering in perovskite solar cells and its impacts on carrier dynamics
journal, February 2019
- Zhu, Cheng; Niu, Xiuxiu; Fu, Yuhao
- Nature Communications, Vol. 10, Issue 1
Fractional deviations in precursor stoichiometry dictate the properties, performance and stability of perovskite photovoltaic devices
journal, January 2018
- Fassl, Paul; Lami, Vincent; Bausch, Alexandra
- Energy & Environmental Science, Vol. 11, Issue 12
Ab initio study of the dynamics of electron trapping and detrapping processes in the CH 3 NH 3 PbI 3 perovskite
journal, January 2019
- Zhang, Linghai; Sit, Patrick H. -L.
- Journal of Materials Chemistry A, Vol. 7, Issue 5
First principles study for band engineering of KNbO 3 with 3d transition metal substitution
journal, January 2019
- Liang, Yunting; Shao, Guosheng
- RSC Advances, Vol. 9, Issue 13
Atomic structure and electronic properties of lead and tin based hybrid halide perovskite surface for photovoltaic applications
journal, August 2019
- Khanal, Rabi; Ayers, Nicholas; Banerjee, Soumik
- AIP Advances, Vol. 9, Issue 8
Inorganic vacancy-ordered perovskite Cs 2 SnCl 6 :Bi/GaN heterojunction photodiode for narrowband, visible-blind UV detection
journal, September 2019
- Shao, Dali; Zhu, Weiguang; Xin, Guoqing
- Applied Physics Letters, Vol. 115, Issue 12
Research Update: Bismuth-based perovskite-inspired photovoltaic materials
text, January 2018
- Lee, Lana; Huq, Tahmida; Driscoll, Judith
- Apollo - University of Cambridge Repository
A Novel Conductive Mesoporous Layer with a Dynamic Two-Step Deposition Strategy Boosts Efficiency of Perovskite Solar Cells to 20%
journal, May 2018
- Sun, Haoxuan; Deng, Kaimo; Zhu, Yayun
- Advanced Materials, Vol. 30, Issue 28
Efficient Passivation with Lead Pyridine‐2‐Carboxylic for High‐Performance and Stable Perovskite Solar Cells
journal, August 2019
- Fu, Sheng; Li, Xiaodong; Wan, Li
- Advanced Energy Materials, Vol. 9, Issue 35
Structural effects on optoelectronic properties of halide perovskites
journal, January 2018
- Chen, Kun; Schünemann, Stefan; Song, Seulki
- Chemical Society Reviews, Vol. 47, Issue 18
On understanding bandgap bowing and optoelectronic quality in Pb–Sn alloy hybrid perovskites
journal, January 2019
- Rajagopal, Adharsh; Stoddard, Ryan J.; Hillhouse, Hugh W.
- Journal of Materials Chemistry A, Vol. 7, Issue 27
Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application
journal, January 2020
- Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip
- Dalton Transactions, Vol. 49, Issue 18
Reducing Detrimental Defects for High‐Performance Metal Halide Perovskite Solar Cells
journal, January 2020
- Ono, Luis K.; Liu, Shengzhong (Frank); Qi, Yabing
- Angewandte Chemie International Edition, Vol. 59, Issue 17
Research Update: Bismuth-based perovskite-inspired photovoltaic materials
journal, August 2018
- Lee, Lana C.; Huq, Tahmida N.; MacManus-Driscoll, Judith L.
- APL Materials, Vol. 6, Issue 8
Toward Perovskite Solar Cell Commercialization: A Perspective and Research Roadmap Based on Interfacial Engineering
journal, June 2018
- Rajagopal, Adharsh; Yao, Kai; Jen, Alex K. -Y.
- Advanced Materials, Vol. 30, Issue 32