First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites

Zhang, Xie; Shen, Jimmy‐Xuan; Van de Walle, Chris G.

doi:10.1002/aenm.201902830

Title: First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites

Journal Article · Tue Nov 26 00:00:00 EST 2019 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.201902830· OSTI ID:1802150

Zhang, Xie ^[1];

^[1]; Van de Walle, Chris G. ^[1]

University of California, Santa Barbara, CA (United States)

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.

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Research Organization:: Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0010689; AC02-05CH11231; DE‐AC0205CH11231

OSTI ID:: 1802150

Alternate ID(s):: OSTI ID: 1608733

Journal Information:: Advanced Energy Materials, Vol. 10, Issue 13; ISSN 1614-6832

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 41 works

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