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Title: Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials

Journal Article · · Nano Letters
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [4]; ORCiD logo [2];  [4];  [5];  [6];  [6]; ORCiD logo [3];  [2]; ORCiD logo [2]; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Physics adn Chemistry of Materials
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Physics and Application
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Physical Chemistry and Applied Spectroscopy
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
  5. Univ. of Rennes (France). Inst. of Chemical Sciences
  6. National Center for Scientific Research (CNRS), Rennes (France). Optical Functions for Information Technology

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
SC00112704; AC52-06NA25396
OSTI ID:
1336128
Alternate ID(s):
OSTI ID: 1357115
Report Number(s):
BNL-112594-2016-JA; LA-UR-16-21882; R&D Project: 16063; 16058; KC0403020
Journal Information:
Nano Letters, Vol. 16, Issue 6; ISSN 1530-6984
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 219 works
Citation information provided by
Web of Science

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Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites journal June 2015
Determination of the exciton binding energy and effective masses for methylammonium and formamidinium lead tri-halide perovskite semiconductors journal January 2016
The Effects of Electronic Impurities and Electron-Hole Recombination Dynamics on Large-Grain Organic-Inorganic Perovskite Photovoltaic Efficiencies journal April 2016
Are Mobilities in Hybrid Organic–Inorganic Halide Perovskites Actually “High”? journal November 2015
Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties journal January 2016
Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites journal February 2015
Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH 3 NH 3 PbI 3 journal December 2014
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Thermal Effects on CH 3 NH 3 PbI 3 Perovskite from Ab Initio Molecular Dynamics Simulations journal March 2015
Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons journal November 2015
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Cited By (59)

A‐site Cation Engineering for Highly Efficient MAPbI 3 Single‐Crystal X‐ray Detector journal December 2019
Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid journal January 2017
Influence of π -conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskites journal October 2018
Hot Polarons with Trapped Excitons and Octahedra‐Twist Phonons in CH 3 NH 3 PbBr 3 Hybrid Perovskite Nanowires journal November 2019
Analysis of the low-temperature dielectric relaxation in $$\hbox {CH}_{3}\hbox {NH}_{3}\hbox {PbI}_{3}$$ CH 3 NH 3 PbI 3 partially substituted with Sn and Ba journal November 2018
Excitations Partition into Two Distinct Populations in Bulk Perovskites journal January 2018
Molecular behavior of zero-dimensional perovskites journal December 2017
Light-Induced Degradation of Perovskite Solar Cells: The Influence of 4-Tert-Butyl Pyridine and Gold journal May 2018
Polarons in Metal Halide Perovskites journal April 2020
Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites journal January 2019
A New Perspective on the Role of A-Site Cations in Perovskite Solar Cells journal January 2018
Barrier to recombination of oppositely charged large polarons journal February 2018
Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite journal January 2020
Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite journal June 2018
UV Degradation and Recovery of Perovskite Solar Cells journal December 2016
Research progress on organic–inorganic halide perovskite materials and solar cells journal February 2018
Organic molecule stabilized bismuth iodide nanoparticles: a hybrid system with multifunctional physical properties journal January 2020
Polaronic transport in CH3NH3PbI3 single crystals journal December 2019
Photostriction of CH 3 NH 3 PbBr 3 Perovskite Crystals journal July 2017
Terahertz Emission from Hybrid Perovskites Driven by Ultrafast Charge Separation and Strong Electron-Phonon Coupling journal January 2018
Dielectric Response: Answer to Many Questions in the Methylammonium Lead Halide Solar Cell Absorbers journal May 2017
Light‐Ferroic Interaction in Hybrid Organic–Inorganic Perovskites journal September 2019
What Remains Unexplained about the Properties of Halide Perovskites? journal March 2018
Hot kinetic model as a guide to improve organic photovoltaic materials journal January 2018
Correlating Phase Behavior with Photophysical Properties in Mixed‐Cation Mixed‐Halide Perovskite Thin Films journal December 2019
Entropy in halide perovskites journal April 2018
Recent Progress in Metal Halide Perovskite Micro‐ and Nanolasers journal April 2019
Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy journal July 2017
Large polarons in lead halide perovskites journal August 2017
Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxide journal December 2017
Large (bi)Polarons for Novel Energy Conversion and Superconductivity journal October 2019
How Methylammonium Cations and Chlorine Dopants Heal Defects in Lead Iodide Perovskites journal January 2018
Ultrafast polaron-pair dynamics in a poly(3-hexylthiophene-2,5-diyl) device influenced by a static electric field: insights into electric-field-related charge loss journal January 2019
Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH 3 NH 3 PbI 3 journal January 2017
Modeling hybrid perovskites by molecular dynamics journal November 2016
The ground exciton state of formamidinium lead bromide perovskite nanocrystals is a singlet dark state journal May 2019
Enhanced Charge Transport in Hybrid Perovskite Field‐Effect Transistors via Microstructure Control journal September 2018
Proposed high-power beta cells from MgAlB 14 -type icosahedral-boron semiconductors journal May 2019
A‐site Cation Engineering for Highly Efficient MAPbI 3 Single‐Crystal X‐ray Detector journal October 2019
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites text January 2017
Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation journal October 2017
How Methylammonium Cations and Chlorine Dopants Heal Defects in Lead Iodide Perovskites journalarticle January 2018
Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites conference January 2019
Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy text January 2017
Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation text January 2017
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites journal July 2017
Local polar fluctuations in lead halide perovskite crystals text January 2016
Optical Phonons in Methylammonium Lead Halide Perovskites and Implications for Charge Transport text January 2016
Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective text January 2016
Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy preprint January 2016
Calculating polaron mobility in halide perovskites text January 2017
Hot Polarons with Trapped Excitons and Octahedra-Twist Phonons in CH3NH3PbBr3 Hybrid Perovskite Nanowires text January 2019
Static and Dynamic Disorder in Triple-Cation Hybrid Perovskites journal July 2018
Narrow Linewidth Excitonic Emission in Organic–Inorganic Lead Iodide Perovskite Single Crystals journal November 2016
Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification journal March 2020
Strong Carrier–Phonon Coupling in Lead Halide Perovskite Nanocrystals journal September 2017
Large Polaron Generation and Dynamics in 3D Metal-Halide Perovskites preprint January 2019
Photoinduced phase separation in the lead halides is a polaronic effect text January 2020
Cation Dynamics in Hybrid Halide Perovskites preprint January 2020