Efficient passivation of DY center in CH3NH3PbBr3 by chlorine: Quantum molecular dynamics

Shi, Ran; Fang, Wei-Hai; Vasenko, Andrey S.; Long, Run; Prezhdo, Oleg V.

doi:10.1007/s12274-021-3840-y

Efficient passivation of DY center in CH3NH3PbBr3 by chlorine: Quantum molecular dynamics

Journal Article · 11 October 2021 · Nano Research

DOI:https://doi.org/10.1007/s12274-021-3840-y· OSTI ID:1976750

Shi, Ran; Fang, Wei-Hai; Vasenko, Andrey S.; Long, Run; Prezhdo, Oleg V.

Not provided.

Research Organization:: Univ. of Southern California, Los Angeles, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0014429

OSTI ID:: 1976750

Journal Information:: Nano Research, Vol. 15, Issue 3; ISSN 1998-0124

Publisher:: Springer

Country of Publication:: United States

Language:: English

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nBn structure based on InAs∕GaSb type-II strained layer superlattices Rodriguez, J. B.; Plis, E.; Bishop, G. Applied Physics Letters, Vol. 91, Issue 4, Article No. 043514 https://doi.org/10.1063/1.2760153	journal	July 2007
Searching for “Defect-Tolerant” Photovoltaic Materials: Combined Theoretical and Experimental Screening Brandt, Riley E.; Poindexter, Jeremy R.; Gorai, Prashun Chemistry of Materials, Vol. 29, Issue 11 https://doi.org/10.1021/acs.chemmater.6b05496	journal	May 2017
Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots Kilina, Svetlana V.; Neukirch, Amanda J.; Habenicht, Bradley F. Physical Review Letters, Vol. 110, Issue 18 https://doi.org/10.1103/PhysRevLett.110.180404	journal	May 2013
Quantum Anti-Zeno Acceleration of a Chemical Reaction Prezhdo, Oleg V. Physical Review Letters, Vol. 85, Issue 21 https://doi.org/10.1103/PhysRevLett.85.4413	journal	November 2000
Organic–inorganic interactions of single crystalline organolead halide perovskites studied by Raman spectroscopy Xie, Li-Qiang; Zhang, Tai-Yang; Chen, Liang Physical Chemistry Chemical Physics, Vol. 18, Issue 27 https://doi.org/10.1039/C6CP01723A	journal	January 2016
Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites Leguy, Aurélien M. A.; Goñi, Alejandro R.; Frost, Jarvist M. Physical Chemistry Chemical Physics, Vol. 18, Issue 39 https://doi.org/10.1039/C6CP03474H	journal	January 2016
Raman Spectroscopy of Organic–Inorganic Halide Perovskites Ledinský, Martin; Löper, Philipp; Niesen, Bjoern The Journal of Physical Chemistry Letters, Vol. 6, Issue 3 https://doi.org/10.1021/jz5026323	journal	January 2015
The Raman Spectrum of the CH ₃ NH ₃ PbI ₃ Hybrid Perovskite: Interplay of Theory and Experiment Quarti, Claudio; Grancini, Giulia; Mosconi, Edoardo The Journal of Physical Chemistry Letters, Vol. 5, Issue 2 https://doi.org/10.1021/jz402589q	journal	December 2013
Highly conductive n-type CH₃NH₃PbI₃ single crystals doped with bismuth donors Li, Chen; Chen, Xin; Li, Ning Journal of Materials Chemistry C, Vol. 8, Issue 11 https://doi.org/10.1039/C9TC06854F	journal	January 2020
Phonon-Induced Dephasing of Excitons in Semiconductor Quantum Dots: Multiple Exciton Generation, Fission, and Luminescence Madrid, Angeline B.; Hyeon-Deuk, Kim; Habenicht, Bradley F. ACS Nano, Vol. 3, Issue 9 https://doi.org/10.1021/nn900584p	journal	August 2009
Predicting the Open-Circuit Voltage of CH ₃ NH ₃ PbI ₃ Perovskite Solar Cells Using Electroluminescence and Photovoltaic Quantum Efficiency Spectra: the Role of Radiative and Non-Radiative Recombination Tress, Wolfgang; Marinova, Nevena; Inganäs, Olle Advanced Energy Materials, Vol. 5, Issue 3 https://doi.org/10.1002/aenm.201400812	journal	September 2014
Effective and Noneffective Recombination Center Defects in Cu ₂ ZnSnS ₄ : Significant Difference in Carrier Capture Cross Sections Li, Jiqiang; Yuan, Zhen-Kun; Chen, Shiyou Chemistry of Materials, Vol. 31, Issue 3 https://doi.org/10.1021/acs.chemmater.8b03933	journal	January 2019
Ab Initio Study of Vibrational Dephasing of Electronic Excitations in Semiconducting Carbon Nanotubes Habenicht, Bradley F.; Kamisaka, Hideyuki; Yamashita, Koichi Nano Letters, Vol. 7, Issue 11 https://doi.org/10.1021/nl0710699	journal	November 2007
Multiple Exciton Generation and Recombination Dynamics in Small Si and CdSe Quantum Dots: An Ab Initio Time-Domain Study Hyeon-Deuk, Kim; Prezhdo, Oleg V. ACS Nano, Vol. 6, Issue 2 https://doi.org/10.1021/nn2038884	journal	January 2012
Covalent Linking Greatly Enhances Photoinduced Electron Transfer in Fullerene-Quantum Dot Nanocomposites: Time-Domain Ab Initio Study Chaban, Vitaly V.; Prezhdo, Victor V.; Prezhdo, Oleg V. The Journal of Physical Chemistry Letters, Vol. 4, Issue 1 https://doi.org/10.1021/jz301878y	journal	December 2012
Asymmetry in the Electron and Hole Transfer at a Polymer–Carbon Nanotube Heterojunction Long, Run; Prezhdo, Oleg V. Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl500792a	journal	May 2014
Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS ₂ but by Different Mechanisms: Time-Domain Ab Initio Analysis Li, Linqiu; Long, Run; Bertolini, Thomas Nano Letters, Vol. 17, Issue 12 https://doi.org/10.1021/acs.nanolett.7b04374	journal	November 2017
Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide Mannodi-Kanakkithodi, Arun; Park, Ji-Sang; Jeon, Nari Chemistry of Materials, Vol. 31, Issue 10 https://doi.org/10.1021/acs.chemmater.8b04017	journal	March 2019
Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis Zhang, Lili; Vasenko, Andrey S.; Zhao, Jin The Journal of Physical Chemistry Letters, Vol. 10, Issue 5 https://doi.org/10.1021/acs.jpclett.9b00042	journal	February 2019

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