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

Neukirch, Amanda J.; Nie, Wanyi; Blancon, Jean-Christophe; Appavoo, Kannatassen; Tsai, Hsinhan; Sfeir, Matthew Y.; Katan, Claudine; Pedesseau, Laurent; Even, Jacky; Crochet, Jared J.; Gupta, Gautam; Mohite, Aditya D.; Tretiak, Sergei

doi:10.1021/acs.nanolett.6b01218

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

Authors:

^[1];

^[2];

^[3]; Appavoo, Kannatassen ^[4];

^[2]; Sfeir, Matthew Y. ^[4]; Katan, Claudine ^[5]; Pedesseau, Laurent ^[6]; Even, Jacky ^[6];

^[3]; Gupta, Gautam ^[2];

^[2];

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Physics adn Chemistry of Materials
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Physics and Application
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Physical Chemistry and Applied Spectroscopy
Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
Univ. of Rennes (France). Inst. of Chemical Sciences
National Center for Scientific Research (CNRS), Rennes (France). Optical Functions for Information Technology

Publication Date:: Wed May 25 00:00:00 EDT 2016

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1336128

Alternate Identifier(s):: OSTI ID: 1357115

Report Number(s):: BNL-112594-2016-JA; LA-UR-16-21882
Journal ID: ISSN 1530-6984; R&D Project: 16063; 16058; KC0403020

Grant/Contract Number:: SC00112704; AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Nano Letters

Additional Journal Information:: Journal Volume: 16; Journal Issue: 6; Journal ID: ISSN 1530-6984

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; cation rotations; Organic and #8722; inorganic perovskite; photovoltaic; polaron; Center for Functional Nanomaterials; Energy Sciences; Inorganic and Physical Chemistry; Material Science; organic-inorganic perovskite

Citation Formats


                    Neukirch, Amanda J., Nie, Wanyi, Blancon, Jean-Christophe, Appavoo, Kannatassen, Tsai, Hsinhan, Sfeir, Matthew Y., Katan, Claudine, Pedesseau, Laurent, Even, Jacky, Crochet, Jared J., Gupta, Gautam, Mohite, Aditya D., and Tretiak, Sergei. Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials.  United States: N. p., 2016. 
Web.  doi:10.1021/acs.nanolett.6b01218.

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                    Neukirch, Amanda J., Nie, Wanyi, Blancon, Jean-Christophe, Appavoo, Kannatassen, Tsai, Hsinhan, Sfeir, Matthew Y., Katan, Claudine, Pedesseau, Laurent, Even, Jacky, Crochet, Jared J., Gupta, Gautam, Mohite, Aditya D., & Tretiak, Sergei. Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials.  United States.  https://doi.org/10.1021/acs.nanolett.6b01218

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                    Neukirch, Amanda J., Nie, Wanyi, Blancon, Jean-Christophe, Appavoo, Kannatassen, Tsai, Hsinhan, Sfeir, Matthew Y., Katan, Claudine, Pedesseau, Laurent, Even, Jacky, Crochet, Jared J., Gupta, Gautam, Mohite, Aditya D., and Tretiak, Sergei. Wed .  
"Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials".  United States.  https://doi.org/10.1021/acs.nanolett.6b01218.  https://www.osti.gov/servlets/purl/1336128.

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@article{osti_1336128,

  title        = {Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials},

  author       = {Neukirch, Amanda J. and Nie, Wanyi and Blancon, Jean-Christophe and Appavoo, Kannatassen and Tsai, Hsinhan and Sfeir, Matthew Y. and Katan, Claudine and Pedesseau, Laurent and Even, Jacky and Crochet, Jared J. and Gupta, Gautam and Mohite, Aditya D. and Tretiak, Sergei},

  abstractNote = {},

  doi          = {10.1021/acs.nanolett.6b01218},

  journal      = {Nano Letters},

  number       = 6,

  volume       = 16,

  place        = {United States},

  year         = {Wed May 25 00:00:00 EDT 2016},

  month        = {Wed May 25 00:00:00 EDT 2016}

}

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Works referenced in this record:

A hole-conductor-free, fully printable mesoscopic perovskite solar cell with high stability
journal, July 2014

Mei, A.; Li, X.; Liu, L.
Science, Vol. 345, Issue 6194, p. 295-298
DOI: 10.1126/science.1254763

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
journal, October 2012

Lee, M. M.; Teuscher, J.; Miyasaka, T.
Science, Vol. 338, Issue 6107, p. 643-647
DOI: 10.1126/science.1228604

Methylammonium Lead Bromide Perovskite-Based Solar Cells by Vapor-Assisted Deposition
journal, February 2015

Sheng, Rui; Ho-Baillie, Anita; Huang, Shujuan
The Journal of Physical Chemistry C, Vol. 119, Issue 7
DOI: 10.1021/jp512936z

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
journal, May 2009

Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo
Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051
DOI: 10.1021/ja809598r

6.5% efficient perovskite quantum-dot-sensitized solar cell
journal, January 2011

Im, Jeong-Hyeok; Lee, Chang-Ryul; Lee, Jin-Wook
Nanoscale, Vol. 3, Issue 10, p. 4088-4093
DOI: 10.1039/c1nr10867k

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
journal, May 2015

Yang, W. S.; Noh, J. H.; Jeon, N. J.
Science, Vol. 348, Issue 6240
DOI: 10.1126/science.aaa9272

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications
journal, March 2014

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo
Scientific Reports, Vol. 4, Issue 1
DOI: 10.1038/srep04467

Self-consistent relativistic band structure of the $CH_{3} NH_{3} PbI_{3}$ perovskite
journal, July 2014

Menéndez-Proupin, E.; Palacios, P.; Wahnón, P.
Physical Review B, Vol. 90, Issue 4
DOI: 10.1103/PhysRevB.90.045207

Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites
journal, June 2015

Miyata, Atsuhiko; Mitioglu, Anatolie; Plochocka, Paulina
Nature Physics, Vol. 11, Issue 7
DOI: 10.1038/nphys3357

Determination of the exciton binding energy and effective masses for methylammonium and formamidinium lead tri-halide perovskite semiconductors
journal, January 2016

Galkowski, Krzysztof; Mitioglu, Anatolie; Miyata, Atsuhiko
Energy & Environmental Science, Vol. 9, Issue 3
DOI: 10.1039/C5EE03435C

The Effects of Electronic Impurities and Electron-Hole Recombination Dynamics on Large-Grain Organic-Inorganic Perovskite Photovoltaic Efficiencies
journal, April 2016

Blancon, Jean-Christophe; Nie, Wanyi; Neukirch, Amanda J.
Advanced Functional Materials, Vol. 26, Issue 24
DOI: 10.1002/adfm.201505324

Are Mobilities in Hybrid Organic–Inorganic Halide Perovskites Actually “High”?
journal, November 2015

Brenner, Thomas M.; Egger, David A.; Rappe, Andrew M.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
DOI: 10.1021/acs.jpclett.5b02390

Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
journal, January 2016

Brenner, Thomas M.; Egger, David A.; Kronik, Leeor
Nature Reviews Materials, Vol. 1, Issue 1
DOI: 10.1038/natrevmats.2015.7

Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites
journal, February 2015

Walsh, Aron
The Journal of Physical Chemistry C, Vol. 119, Issue 11
DOI: 10.1021/jp512420b

Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH ₃ NH ₃ PbI ₃
journal, December 2014

Ma, Jie; Wang, Lin-Wang
Nano Letters, Vol. 15, Issue 1
DOI: 10.1021/nl503494y

Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
journal, January 2015

Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
Physical Chemistry Chemical Physics, Vol. 17, Issue 14
DOI: 10.1039/C5CP00599J

Thermal Effects on CH ₃ NH ₃ PbI ₃ Perovskite from Ab Initio Molecular Dynamics Simulations
journal, March 2015

Carignano, Marcelo A.; Kachmar, Ali; Hutter, Jürg
The Journal of Physical Chemistry C, Vol. 119, Issue 17
DOI: 10.1021/jp510568n

Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons
journal, November 2015

Zhu, X. -Y.; Podzorov, V.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
DOI: 10.1021/acs.jpclett.5b02462

Back to the Photovoltaic Future with Perovskites
journal, November 2015

Kamat, Prashant V.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
DOI: 10.1021/acs.jpclett.5b02524

Slow Electrons in a Polar Crystal
journal, February 1955

Feynman, R. P.
Physical Review, Vol. 97, Issue 3
DOI: 10.1103/PhysRev.97.660

Electrons in lattice fields
journal, July 1954

Fröhlich, H.
Advances in Physics, Vol. 3, Issue 11, p. 325-361
DOI: 10.1080/00018735400101213

Fröhlich polaron and bipolaron: recent developments
journal, May 2009

Devreese, Jozef T.; Alexandrov, Alexandre S.
Reports on Progress in Physics, Vol. 72, Issue 6
DOI: 10.1088/0034-4885/72/6/066501

Fröhlich polarons from 0D to 3D: concepts and recent developments
journal, May 2007

Devreese, J. T.
Journal of Physics: Condensed Matter, Vol. 19, Issue 25
DOI: 10.1088/0953-8984/19/25/255201

Small polarons in real crystals: concepts and problems
journal, May 1993

Shluger, A. L.; Stoneham, A. M.
Journal of Physics: Condensed Matter, Vol. 5, Issue 19
DOI: 10.1088/0953-8984/5/19/007

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH ₃ NH ₃ PbI ₃
journal, November 2015

Zheng, Fan; Tan, Liang Z.; Liu, Shi
Nano Letters, Vol. 15, Issue 12
DOI: 10.1021/acs.nanolett.5b01854

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
journal, April 2014

Frost, Jarvist M.; Butler, Keith T.; Brivio, Federico
Nano Letters, Vol. 14, Issue 5
DOI: 10.1021/nl500390f

Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites
journal, February 2015

Liu, Shi; Zheng, Fan; Koocher, Nathan Z.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 4
DOI: 10.1021/jz502666j

Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells
journal, June 2014

Juarez-Perez, Emilio J.; Sanchez, Rafael S.; Badia, Laura
The Journal of Physical Chemistry Letters, Vol. 5, Issue 13
DOI: 10.1021/jz5011169

Studies of polaron motion
journal, November 1959

Holstein, T.
Annals of Physics, Vol. 8, Issue 3
DOI: 10.1016/0003-4916(59)90003-X

Localization of Electronic Excitations in Conjugated Polymers Studied by DFT
journal, February 2011

Nayyar, Iffat H.; Batista, Enrique R.; Tretiak, Sergei
The Journal of Physical Chemistry Letters, Vol. 2, Issue 6
DOI: 10.1021/jz101740w

Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers
journal, December 2012

Nayyar, Iffat H.; Batista, Enrique R.; Tretiak, Sergei
Journal of Chemical Theory and Computation, Vol. 9, Issue 2
DOI: 10.1021/ct300837d

Effect of trans - and cis -isomeric defects on the localization of the charged excitations in π-conjugated organic polymers
journal, April 2013

Nayyar, Iffat H.; Batista, Enrique R.; Tretiak, Sergei
Journal of Polymer Science Part B: Polymer Physics, Vol. 51, Issue 12
DOI: 10.1002/polb.23291

Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic ${HfO}_{2}$
journal, October 2007

Muñoz Ramo, D.; Shluger, A. L.; Gavartin, J. L.
Physical Review Letters, Vol. 99, Issue 15
DOI: 10.1103/PhysRevLett.99.155504

Light-activated photocurrent degradation and self-healing in perovskite solar cells
journal, May 2016

Nie, Wanyi; Blancon, Jean-Christophe; Neukirch, Amanda J.
Nature Communications, Vol. 7, Issue 1
DOI: 10.1038/ncomms11574

Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskites
journal, May 2014

Even, Jacky; Pedesseau, Laurent; Katan, Claudine
The Journal of Physical Chemistry C, Vol. 118, Issue 22
DOI: 10.1021/jp503337a

Solid-State Physics Perspective on Hybrid Perovskite Semiconductors
journal, April 2015

Even, Jacky; Pedesseau, Laurent; Katan, Claudine
The Journal of Physical Chemistry C, Vol. 119, Issue 19
DOI: 10.1021/acs.jpcc.5b00695

Rashba and Dresselhaus Effects in Hybrid Organic–Inorganic Perovskites: From Basics to Devices
journal, September 2015

Kepenekian, Mikaël; Robles, Roberto; Katan, Claudine
ACS Nano, Vol. 9, Issue 12
DOI: 10.1021/acsnano.5b04409

Diagrammatic Monte Carlo study of the acoustic and the Bose–Einstein condensate polaron
journal, March 2015

Vlietinck, Jonas; Casteels, Wim; Houcke, Kris Van
New Journal of Physics, Vol. 17, Issue 3
DOI: 10.1088/1367-2630/17/3/033023

Dielectric study of CH3NH3PbX3 (X = Cl, Br, I)
journal, July 1992

Onoda-Yamamuro, Noriko; Matsuo, Takasuke; Suga, Hiroshi
Journal of Physics and Chemistry of Solids, Vol. 53, Issue 7
DOI: 10.1016/0022-3697(92)90121-S

Pedestrian Guide to Symmetry Properties of the Reference Cubic Structure of 3D All-Inorganic and Hybrid Perovskites
journal, June 2015

Even, J.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 12
DOI: 10.1021/acs.jpclett.5b00905

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
journal, January 2016

Even, J.; Carignano, M.; Katan, C.
Nanoscale, Vol. 8, Issue 12
DOI: 10.1039/C5NR06386H

Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications
journal, August 2013

Even, Jacky; Pedesseau, Laurent; Jancu, Jean-Marc
The Journal of Physical Chemistry Letters, Vol. 4, Issue 17
DOI: 10.1021/jz401532q

Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
journal, July 2004

Heyd, Jochen; Scuseria, Gustavo E.
The Journal of Chemical Physics, Vol. 121, Issue 3, p. 1187-1192
DOI: 10.1063/1.1760074

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
journal, January 2013

Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.
Journal of Materials Chemistry A, Vol. 1, Issue 18
DOI: 10.1039/c3ta10518k

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
journal, July 2004

Yanai, Takeshi; Tew, David P.; Handy, Nicholas C.
Chemical Physics Letters, Vol. 393, Issue 1-3, p. 51-57
DOI: 10.1016/j.cplett.2004.06.011

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
journal, March 1998

Barone, Vincenzo; Cossi, Maurizio
The Journal of Physical Chemistry A, Vol. 102, Issue 11
DOI: 10.1021/jp9716997

Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture)
journal, August 1993

Marcus, Rudolph A.
Angewandte Chemie International Edition in English, Vol. 32, Issue 8
DOI: 10.1002/anie.199311113

Perovskite Photovoltaics with Outstanding Performance Produced by Chemical Conversion of Bilayer Mesostructured Lead Halide/TiO ₂ Films
journal, February 2016

Yi, Chenyi; Li, Xiong; Luo, Jingshan
Advanced Materials, Vol. 28, Issue 15
DOI: 10.1002/adma.201506049

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells
journal, January 2016

McMeekin, D. P.; Sadoughi, G.; Rehman, W.
Science, Vol. 351, Issue 6269
DOI: 10.1126/science.aad5845

Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
journal, February 2016

Beal, Rachel E.; Slotcavage, Daniel J.; Leijtens, Tomas
The Journal of Physical Chemistry Letters, Vol. 7, Issue 5
DOI: 10.1021/acs.jpclett.6b00002

Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency
journal, January 2016

Saliba, Michael; Matsui, Taisuke; Seo, Ji-Youn
Energy & Environmental Science, Vol. 9, Issue 6
DOI: 10.1039/C5EE03874J

Works referencing / citing this record:

A‐site Cation Engineering for Highly Efficient MAPbI ₃ Single‐Crystal X‐ray Detector
journal, December 2019

Huang, Yanmin; Qiao, Lu; Jiang, Yuanzhi
Angewandte Chemie International Edition, Vol. 58, Issue 49
DOI: 10.1002/anie.201911281

Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid
journal, January 2017

Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao
RSC Advances, Vol. 7, Issue 89
DOI: 10.1039/c7ra11033b

Influence of $π$ -conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskites
journal, October 2018

Leveillee, Joshua; Katan, Claudine; Zhou, Liujiang
Physical Review Materials, Vol. 2, Issue 10
DOI: 10.1103/physrevmaterials.2.105406

Hot Polarons with Trapped Excitons and Octahedra‐Twist Phonons in CH ₃ NH ₃ PbBr ₃ Hybrid Perovskite Nanowires
journal, November 2019

Song, Feilong; Qian, Chenjiang; Wang, Yunuan
Laser & Photonics Reviews, Vol. 14, Issue 1
DOI: 10.1002/lpor.201900267

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

Padchasri, Jintara; Rujirawat, Saroj; Yimnirun, Rattikorn
Applied Physics A, Vol. 124, Issue 12
DOI: 10.1007/s00339-018-2226-9

Excitations Partition into Two Distinct Populations in Bulk Perovskites
journal, January 2018

Wang, Lili; Brawand, Nicholas P.; Vörös, Márton
Advanced Optical Materials, Vol. 6, Issue 5
DOI: 10.1002/adom.201700975

Molecular behavior of zero-dimensional perovskites
journal, December 2017

Yin, Jun; Maity, Partha; De Bastiani, Michele
Science Advances, Vol. 3, Issue 12
DOI: 10.1126/sciadv.1701793

Light-Induced Degradation of Perovskite Solar Cells: The Influence of 4-Tert-Butyl Pyridine and Gold
journal, May 2018

Bastos, João P.; Paetzold, Ulrich W.; Gehlhaar, Robert
Advanced Energy Materials, Vol. 8, Issue 23
DOI: 10.1002/aenm.201800554

Polarons in Metal Halide Perovskites
journal, April 2020

Meggiolaro, Daniele; Ambrosio, Francesco; Mosconi, Edoardo
Advanced Energy Materials, Vol. 10, Issue 13
DOI: 10.1002/aenm.201902748

Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites
journal, January 2019

Thouin, Félix; Valverde-Chávez, David A.; Quarti, Claudio
Nature Materials, Vol. 18, Issue 4
DOI: 10.1038/s41563-018-0262-7

A New Perspective on the Role of A-Site Cations in Perovskite Solar Cells
journal, January 2018

Myung, Chang Woo; Yun, Jeonghun; Lee, Geunsik
Advanced Energy Materials, Vol. 8, Issue 14
DOI: 10.1002/aenm.201702898

Barrier to recombination of oppositely charged large polarons
journal, February 2018

Emin, David
Journal of Applied Physics, Vol. 123, Issue 5
DOI: 10.1063/1.5019834

Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite
journal, January 2020

Uratani, Hiroki; Chou, Chien-Pin; Nakai, Hiromi
Physical Chemistry Chemical Physics, Vol. 22, Issue 1
DOI: 10.1039/c9cp04739e

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite
journal, June 2018

Park, Myeongkee; Neukirch, Amanda J.; Reyes-Lillo, Sebastian E.
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-04946-7

UV Degradation and Recovery of Perovskite Solar Cells
journal, December 2016

Lee, Sang-Won; Kim, Seongtak; Bae, Soohyun
Scientific Reports, Vol. 6, Issue 1
DOI: 10.1038/srep38150

Research progress on organic–inorganic halide perovskite materials and solar cells
journal, February 2018

Ono, Luis K.; Qi, Yabing
Journal of Physics D: Applied Physics, Vol. 51, Issue 9
DOI: 10.1088/1361-6463/aaa727

Organic molecule stabilized bismuth iodide nanoparticles: a hybrid system with multifunctional physical properties
journal, January 2020

Ghosh, Sarit K.; Perla, Venkata K.; Mallick, Kaushik
Physical Chemistry Chemical Physics, Vol. 22, Issue 6
DOI: 10.1039/c9cp06183e

Polaronic transport in CH3NH3PbI3 single crystals
journal, December 2019

Jin, Lei; Qian, Yuqin; Zhang, Yipei
Journal of Materials Science: Materials in Electronics, Vol. 31, Issue 3
DOI: 10.1007/s10854-019-02713-y

Photostriction of CH ₃ NH ₃ PbBr ₃ Perovskite Crystals
journal, July 2017

Wei, Tzu-Chiao; Wang, Hsin-Ping; Li, Ting-You
Advanced Materials, Vol. 29, Issue 35
DOI: 10.1002/adma.201701789

Terahertz Emission from Hybrid Perovskites Driven by Ultrafast Charge Separation and Strong Electron-Phonon Coupling
journal, January 2018

Guzelturk, Burak; Belisle, Rebecca A.; Smith, Matthew D.
Advanced Materials, Vol. 30, Issue 11
DOI: 10.1002/adma.201704737

Dielectric Response: Answer to Many Questions in the Methylammonium Lead Halide Solar Cell Absorbers
journal, May 2017

Anusca, Irina; Balčiūnas, Sergejus; Gemeiner, Pascale
Advanced Energy Materials, Vol. 7, Issue 19
DOI: 10.1002/aenm.201700600

Light‐Ferroic Interaction in Hybrid Organic–Inorganic Perovskites
journal, September 2019

Liu, Yongtao; Ievlev, Anton V.; Collins, Liam
Advanced Optical Materials, Vol. 7, Issue 23
DOI: 10.1002/adom.201901451

What Remains Unexplained about the Properties of Halide Perovskites?
journal, March 2018

Egger, David A.; Bera, Achintya; Cahen, David
Advanced Materials, Vol. 30, Issue 20
DOI: 10.1002/adma.201800691

Hot kinetic model as a guide to improve organic photovoltaic materials
journal, January 2018

Sosorev, Andrey Yu.; Godovsky, Dmitry Yu.; Paraschuk, Dmitry Yu.
Physical Chemistry Chemical Physics, Vol. 20, Issue 5
DOI: 10.1039/c7cp06158g

Correlating Phase Behavior with Photophysical Properties in Mixed‐Cation Mixed‐Halide Perovskite Thin Films
journal, December 2019

Greenland, Claire; Shnier, Adam; Rajendran, Sai K.
Advanced Energy Materials, Vol. 10, Issue 4
DOI: 10.1002/aenm.201901350

Entropy in halide perovskites
journal, April 2018

Katan, Claudine; Mohite, Aditya D.; Even, Jacky
Nature Materials, Vol. 17, Issue 5
DOI: 10.1038/s41563-018-0070-0

Recent Progress in Metal Halide Perovskite Micro‐ and Nanolasers
journal, April 2019

Wei, Qi; Li, Xiaojun; Liang, Chao
Advanced Optical Materials, Vol. 7, Issue 17
DOI: 10.1002/adom.201900080

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy
journal, July 2017

Santomauro, Fabio G.; Grilj, Jakob; Mewes, Lars
Structural Dynamics, Vol. 4, Issue 4
DOI: 10.1063/1.4971999

Large polarons in lead halide perovskites
journal, August 2017

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan
Science Advances, Vol. 3, Issue 8
DOI: 10.1126/sciadv.1701217

Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxide
journal, December 2017

Nie, Wanyi; Tsai, Hsinhan; Blancon, Jean-Christophe
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DOI: 10.1002/adma.201703879

Large (bi)Polarons for Novel Energy Conversion and Superconductivity
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Journal of Superconductivity and Novel Magnetism, Vol. 33, Issue 1
DOI: 10.1007/s10948-019-05299-y

How Methylammonium Cations and Chlorine Dopants Heal Defects in Lead Iodide Perovskites
journal, January 2018

Nan, Guangjun; Zhang, Xu; Abdi-Jalebi, Mojtaba
Advanced Energy Materials, Vol. 8, Issue 13
DOI: 10.1002/aenm.201702754

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

Rana, Debkumar; Donfack, Patrice; Jovanov, Vladislav
Physical Chemistry Chemical Physics, Vol. 21, Issue 38
DOI: 10.1039/c9cp03736e

Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH ₃ NH ₃ PbI ₃
journal, January 2017

Kang, Byungkyun; Biswas, Koushik
Physical Chemistry Chemical Physics, Vol. 19, Issue 40
DOI: 10.1039/c7cp04417h

Modeling hybrid perovskites by molecular dynamics
journal, November 2016

Mattoni, Alessandro; Filippetti, Alessio; Caddeo, Claudia
Journal of Physics: Condensed Matter, Vol. 29, Issue 4
DOI: 10.1088/1361-648x/29/4/043001

The ground exciton state of formamidinium lead bromide perovskite nanocrystals is a singlet dark state
journal, May 2019

Tamarat, Philippe; Bodnarchuk, Maryna I.; Trebbia, Jean-Baptiste
Nature Materials, Vol. 18, Issue 7
DOI: 10.1038/s41563-019-0364-x

Enhanced Charge Transport in Hybrid Perovskite Field‐Effect Transistors via Microstructure Control
journal, September 2018

Zeidell, Andrew M.; Tyznik, Colin; Jennings, Laura
Advanced Electronic Materials, Vol. 4, Issue 12
DOI: 10.1002/aelm.201800316

Proposed high-power beta cells from MgAlB ₁₄ -type icosahedral-boron semiconductors
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Emin, David
AIP Advances, Vol. 9, Issue 5
DOI: 10.1063/1.5108742

A‐site Cation Engineering for Highly Efficient MAPbI ₃ Single‐Crystal X‐ray Detector
journal, October 2019

Huang, Yanmin; Qiao, Lu; Jiang, Yuanzhi
Angewandte Chemie, Vol. 131, Issue 49
DOI: 10.1002/ange.201911281

Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
text, January 2017

Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
Columbia University
DOI: 10.7916/d8sr0bbc

Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
journal, October 2017

Miyata, Kiyoshi; Atallah, Timothy L.; Zhu, X. -Y.
Science Advances, Vol. 3, Issue 10
DOI: 10.1126/sciadv.1701469

How Methylammonium Cations and Chlorine Dopants Heal Defects in Lead Iodide Perovskites
journalarticle, January 2018

Nan, G.; Zhang, X.; Abdi-Jalebi, M.
Wiley
DOI: 10.17863/cam.27214

Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites
conference, January 2019

Srimath Kandada, Ajay Ram; Thouin, Felix; Valverde-Chavez, David
Proceedings of the 1st Interfaces in Organic and Hybrid Thin-Film Optoelectronics
DOI: 10.29363/nanoge.inform.2019.051

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy
text, January 2017

Santomauro, Fabio G.; Grilj, Jakob; Mewes, Lars
ETH Zurich
DOI: 10.3929/ethz-b-000125056

Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
text, January 2017

Miyata, Kiyoshi; Atallah, Timothy Luke; Zhu, Xiaoyang
Columbia University
DOI: 10.7916/d8281kg3

Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
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Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
Science Advances, Vol. 3, Issue 7
DOI: 10.1126/sciadv.1602388

Local polar fluctuations in lead halide perovskite crystals
text, January 2016

Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.
arXiv
DOI: 10.48550/arxiv.1604.08107

Optical Phonons in Methylammonium Lead Halide Perovskites and Implications for Charge Transport
text, January 2016

Sendner, Michael; Nayak, Pabitra K.; Egger, David A.
arXiv
DOI: 10.48550/arxiv.1607.08541

Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective
text, January 2016

Lahnsteiner, Jonathan; Kresse, Georg; Kumar, Abhinav
arXiv
DOI: 10.48550/arxiv.1608.04991

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy
preprint, January 2016

Santomauro, Fabio G.; Grilj, Jakob; Mewes, Lars
arXiv
DOI: 10.48550/arxiv.1610.02231

Calculating polaron mobility in halide perovskites
text, January 2017

Frost, Jarvist Moore
arXiv
DOI: 10.48550/arxiv.1704.05404

Hot Polarons with Trapped Excitons and Octahedra-Twist Phonons in CH3NH3PbBr3 Hybrid Perovskite Nanowires
text, January 2019

Song, Feilong; Qian, Chenjiang; Wang, Yunuan
arXiv
DOI: 10.48550/arxiv.1911.07551

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journal, October 2019

Emin, David
Journal of Superconductivity and Novel Magnetism, Vol. 33, Issue 1
DOI: 10.1007/s10948-019-05299-y

Static and Dynamic Disorder in Triple-Cation Hybrid Perovskites
journal, July 2018

Baranowski, M.; Urban, J. M.; Zhang, N.
The Journal of Physical Chemistry C, Vol. 122, Issue 30
DOI: 10.1021/acs.jpcc.8b05222

Narrow Linewidth Excitonic Emission in Organic–Inorganic Lead Iodide Perovskite Single Crystals
journal, November 2016

Diab, Hiba; Trippé-Allard, Gaëlle; Lédée, Ferdinand
The Journal of Physical Chemistry Letters, Vol. 7, Issue 24
DOI: 10.1021/acs.jpclett.6b02261

Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification
journal, March 2020

Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha
ACS Nano, Vol. 14, Issue 3
DOI: 10.1021/acsnano.0c00037

Strong Carrier–Phonon Coupling in Lead Halide Perovskite Nanocrystals
journal, September 2017

Iaru, Claudiu M.; Geuchies, Jaco J.; Koenraad, Paul M.
ACS Nano, Vol. 11, Issue 11
DOI: 10.1021/acsnano.7b05033

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite
journal, June 2018

Park, Myeongkee; Neukirch, Amanda J.; Reyes-Lillo, Sebastian E.
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-04946-7

UV Degradation and Recovery of Perovskite Solar Cells
journal, December 2016

Lee, Sang-Won; Kim, Seongtak; Bae, Soohyun
Scientific Reports, Vol. 6, Issue 1
DOI: 10.1038/srep38150

Large polarons in lead halide perovskites
journal, August 2017

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan
Science Advances, Vol. 3, Issue 8
DOI: 10.1126/sciadv.1701217

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy
text, January 2017

Santomauro, Fabio G.; Grilj, Jakob; Mewes, Lars
ETH Zurich
DOI: 10.3929/ethz-b-000125056

Large Polaron Generation and Dynamics in 3D Metal-Halide Perovskites
preprint, January 2019

Wong, Walter P. D.; Yin, Jun; Chaudhary, Bhumika
arXiv
DOI: 10.48550/arxiv.1905.11704

Photoinduced phase separation in the lead halides is a polaronic effect
text, January 2020

Limmer, David T.; Ginsberg, Naomi S.
arXiv
DOI: 10.48550/arxiv.2001.01677

Cation Dynamics in Hybrid Halide Perovskites
preprint, January 2020

Mozur, Eve M.; Neilson, James R.
arXiv
DOI: 10.48550/arxiv.2012.05115

Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
text, January 2017

Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
Columbia University
DOI: 10.7916/d8sr0bbc

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Citation Formats

A hole-conductor-free, fully printable mesoscopic perovskite solar cell with high stability journal, July 2014

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Methylammonium Lead Bromide Perovskite-Based Solar Cells by Vapor-Assisted Deposition journal, February 2015

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Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications journal, March 2014

Self-consistent relativistic band structure of the CH 3 NH 3 PbI 3 perovskite journal, July 2014

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

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Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons journal, November 2015

Back to the Photovoltaic Future with Perovskites journal, November 2015

Slow Electrons in a Polar Crystal journal, February 1955

Electrons in lattice fields journal, July 1954

Fröhlich polaron and bipolaron: recent developments journal, May 2009

Fröhlich polarons from 0D to 3D: concepts and recent developments journal, May 2007

Small polarons in real crystals: concepts and problems journal, May 1993

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH 3 NH 3 PbI 3 journal, November 2015

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells journal, April 2014

Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites journal, February 2015

Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells journal, June 2014

Studies of polaron motion journal, November 1959

Localization of Electronic Excitations in Conjugated Polymers Studied by DFT journal, February 2011

Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers journal, December 2012

Effect of trans - and cis -isomeric defects on the localization of the charged excitations in π-conjugated organic polymers journal, April 2013

Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic HfO 2 journal, October 2007

Light-activated photocurrent degradation and self-healing in perovskite solar cells journal, May 2016

Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskites journal, May 2014

Solid-State Physics Perspective on Hybrid Perovskite Semiconductors journal, April 2015

Rashba and Dresselhaus Effects in Hybrid Organic–Inorganic Perovskites: From Basics to Devices journal, September 2015

Diagrammatic Monte Carlo study of the acoustic and the Bose–Einstein condensate polaron journal, March 2015

Dielectric study of CH3NH3PbX3 (X = Cl, Br, I) journal, July 1992

Pedestrian Guide to Symmetry Properties of the Reference Cubic Structure of 3D All-Inorganic and Hybrid Perovskites journal, June 2015

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites journal, January 2016

Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications journal, August 2013

Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional journal, July 2004

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications journal, January 2013

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) journal, July 2004

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model journal, March 1998

Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture) journal, August 1993

Perovskite Photovoltaics with Outstanding Performance Produced by Chemical Conversion of Bilayer Mesostructured Lead Halide/TiO 2 Films journal, February 2016

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells journal, January 2016

Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells journal, February 2016

Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency journal, January 2016

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

A hole-conductor-free, fully printable mesoscopic perovskite solar cell with high stability
journal, July 2014

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
journal, October 2012

Methylammonium Lead Bromide Perovskite-Based Solar Cells by Vapor-Assisted Deposition
journal, February 2015

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
journal, May 2009

6.5% efficient perovskite quantum-dot-sensitized solar cell
journal, January 2011

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
journal, May 2015

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications
journal, March 2014

Self-consistent relativistic band structure of the $CH_{3} NH_{3} PbI_{3}$ perovskite
journal, July 2014

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

Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
journal, January 2015

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

Back to the Photovoltaic Future with Perovskites
journal, November 2015

Slow Electrons in a Polar Crystal
journal, February 1955

Electrons in lattice fields
journal, July 1954

Fröhlich polaron and bipolaron: recent developments
journal, May 2009

Fröhlich polarons from 0D to 3D: concepts and recent developments
journal, May 2007

Small polarons in real crystals: concepts and problems
journal, May 1993

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH ₃ NH ₃ PbI ₃
journal, November 2015

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
journal, April 2014

Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites
journal, February 2015

Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells
journal, June 2014

Studies of polaron motion
journal, November 1959

Localization of Electronic Excitations in Conjugated Polymers Studied by DFT
journal, February 2011

Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers
journal, December 2012

Effect of trans - and cis -isomeric defects on the localization of the charged excitations in π-conjugated organic polymers
journal, April 2013

Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic ${HfO}_{2}$
journal, October 2007

Light-activated photocurrent degradation and self-healing in perovskite solar cells
journal, May 2016

Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskites
journal, May 2014

Solid-State Physics Perspective on Hybrid Perovskite Semiconductors
journal, April 2015

Rashba and Dresselhaus Effects in Hybrid Organic–Inorganic Perovskites: From Basics to Devices
journal, September 2015

Diagrammatic Monte Carlo study of the acoustic and the Bose–Einstein condensate polaron
journal, March 2015

Dielectric study of CH3NH3PbX3 (X = Cl, Br, I)
journal, July 1992

Pedestrian Guide to Symmetry Properties of the Reference Cubic Structure of 3D All-Inorganic and Hybrid Perovskites
journal, June 2015

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
journal, January 2016

Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications
journal, August 2013

Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
journal, July 2004

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
journal, January 2013

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
journal, July 2004

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
journal, March 1998

Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture)
journal, August 1993

Perovskite Photovoltaics with Outstanding Performance Produced by Chemical Conversion of Bilayer Mesostructured Lead Halide/TiO ₂ Films
journal, February 2016

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells
journal, January 2016

Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
journal, February 2016

Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency
journal, January 2016

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