First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites
Abstract
Abstract In recent years, there have been remarkable developments in halide perovskites, which are used in highly efficient optoelectronic devices and exhibit intriguing materials physics. Detailed knowledge of carrier recombination mechanisms is essential for understanding their excellent performance and to further increase their efficiency. Obtaining such knowledge is challenging however, and different studies have reached divergent conclusions in some cases. This progress report outlines the critical developments in understanding the carrier recombination mechanisms in halide perovskites from a computational perspective. The primary focus is radiative and Auger recombination, since they have not been systematically assessed and discussed before, and a number of important issues have been actively debated. This comprehensive discussion of the carrier recombination mechanisms is aimed at establishing physically justified insights that can form the basis for better materials and devices design.
- Authors:
-
- University of California, Santa Barbara, CA (United States)
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1802150
- Alternate Identifier(s):
- OSTI ID: 1608733
- Grant/Contract Number:
- SC0010689; AC02-05CH11231; DE‐AC0205CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Energy Materials
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 13; Journal ID: ISSN 1614-6832
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; first principles; radiative recombination; auger recombination; halide perovskites
Citation Formats
Zhang, Xie, Shen, Jimmy‐Xuan, and Van de Walle, Chris G. First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites. United States: N. p., 2019.
Web. doi:10.1002/aenm.201902830.
Zhang, Xie, Shen, Jimmy‐Xuan, & Van de Walle, Chris G. First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites. United States. https://doi.org/10.1002/aenm.201902830
Zhang, Xie, Shen, Jimmy‐Xuan, and Van de Walle, Chris G. Tue .
"First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites". United States. https://doi.org/10.1002/aenm.201902830. https://www.osti.gov/servlets/purl/1802150.
@article{osti_1802150,
title = {First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites},
author = {Zhang, Xie and Shen, Jimmy‐Xuan and Van de Walle, Chris G.},
abstractNote = {Abstract In recent years, there have been remarkable developments in halide perovskites, which are used in highly efficient optoelectronic devices and exhibit intriguing materials physics. Detailed knowledge of carrier recombination mechanisms is essential for understanding their excellent performance and to further increase their efficiency. Obtaining such knowledge is challenging however, and different studies have reached divergent conclusions in some cases. This progress report outlines the critical developments in understanding the carrier recombination mechanisms in halide perovskites from a computational perspective. The primary focus is radiative and Auger recombination, since they have not been systematically assessed and discussed before, and a number of important issues have been actively debated. This comprehensive discussion of the carrier recombination mechanisms is aimed at establishing physically justified insights that can form the basis for better materials and devices design.},
doi = {10.1002/aenm.201902830},
journal = {Advanced Energy Materials},
number = 13,
volume = 10,
place = {United States},
year = {Tue Nov 26 00:00:00 EST 2019},
month = {Tue Nov 26 00:00:00 EST 2019}
}
Web of Science
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