Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
Abstract
Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (Tc-T) , where Tc is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over a range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI3 based solar cells.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
- Dupont Electronics and Communication Technologies, Wilmington, DE (United States)
- Dupont Electronics and Communication Technologies, Wilmington, DE (United States); Argonne National Lab. (ANL), Lemont, IL (United States). Advanced Photon Source
- Dupont Central Research and Development, Wilmington, DE (United States); Univ. of Delaware, Newark, DE (United States). Dept. of Physics and Astronomy
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1329767
- Grant/Contract Number:
- AC05-00OR22725; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 21 Oct; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Whitfield, P. S., Herron, N., Guise, W. E., Page, K., Cheng, Y. Q., Milas, I., and Crawford, M. K. Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide. United States: N. p., 2016.
Web. doi:10.1038/srep35685.
Whitfield, P. S., Herron, N., Guise, W. E., Page, K., Cheng, Y. Q., Milas, I., & Crawford, M. K. Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide. United States. https://doi.org/10.1038/srep35685
Whitfield, P. S., Herron, N., Guise, W. E., Page, K., Cheng, Y. Q., Milas, I., and Crawford, M. K. Fri .
"Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide". United States. https://doi.org/10.1038/srep35685. https://www.osti.gov/servlets/purl/1329767.
@article{osti_1329767,
title = {Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide},
author = {Whitfield, P. S. and Herron, N. and Guise, W. E. and Page, K. and Cheng, Y. Q. and Milas, I. and Crawford, M. K.},
abstractNote = {Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (Tc-T) , where Tc is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over a range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI3 based solar cells.},
doi = {10.1038/srep35685},
journal = {Scientific Reports},
number = 21 Oct,
volume = 6,
place = {United States},
year = {Fri Oct 21 00:00:00 EDT 2016},
month = {Fri Oct 21 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 393 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Parameterization of the Crystal Structures of Centrosymmetric Zone-Boundary-Tilted Perovskites: an Analysis in Terms of Symmetry-Adapted Basis-Vectors of the Cubic Aristotype Phase
journal, April 2009
- Knight, K. S.
- The Canadian Mineralogist, Vol. 47, Issue 2
Über die Cäsium- und Kalium-Bleihalogenide
journal, January 1893
- Wells, H. L.
- Zeitschrift für anorganische Chemie, Vol. 3, Issue 1
Photovoltaic behaviour of lead methylammonium triiodide perovskite solar cells down to 80 K
journal, January 2015
- Zhang, Hua; Qiao, Xianfeng; Shen, Yan
- Journal of Materials Chemistry A, Vol. 3, Issue 22
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
Static and dynamic structures of CD3ND3GeCl3 studied by TOF high resolution neutron powder diffraction and solid state NMR
journal, April 2002
- Yamada, Koji; Mikawa, Keiko; Okuda, Tsutomu
- Journal of the Chemical Society, Dalton Transactions, Issue 10
On the rigid-body motion of molecules in crystals
journal, January 1968
- Schomaker, V.; Trueblood, K. N.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 24, Issue 1
ISODISPLACE : a web-based tool for exploring structural distortions
journal, July 2006
- Campbell, Branton J.; Stokes, Harold T.; Tanner, David E.
- Journal of Applied Crystallography, Vol. 39, Issue 4
Tilt and acoustic instabilities in ABX 4 , A 2 BX 4 and ABX 3 perovskite structure types: their role in the incommensurate phases of the organic–inorganic perovskites
journal, November 2005
- Swainson, Ian Peter
- Acta Crystallographica Section B Structural Science, Vol. 61, Issue 6
Cation rotation in methylammonium lead halides
journal, November 1985
- Wasylishen, R. E.; Knop, Osvald; Macdonald, J. B.
- Solid State Communications, Vol. 56, Issue 7
Ultra-Low Thermal Conductivity in Organic–Inorganic Hybrid Perovskite CH 3 NH 3 PbI 3
journal, July 2014
- Pisoni, Andrea; Jaćimović, Jaćim; Barišić, Osor S.
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 14
Ferroelastic Fingerprints in Methylammonium Lead Iodide Perovskite
journal, January 2016
- Hermes, Ilka M.; Bretschneider, Simon A.; Bergmann, Victor W.
- The Journal of Physical Chemistry C, Vol. 120, Issue 10
The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells
journal, May 2015
- Leguy, Aurelien M. A.; Frost, Jarvist Moore; McMahon, Andrew P.
- Nature Communications, Vol. 6, Issue 1
Interaction of Elastic Strain with the Structural Transition of Strontium Titanate
journal, May 1970
- Slonczewski, J. C.; Thomas, H.
- Physical Review B, Vol. 1, Issue 9
Electron–phonon coupling in hybrid lead halide perovskites
journal, May 2016
- Wright, Adam D.; Verdi, Carla; Milot, Rebecca L.
- Nature Communications, Vol. 7, Issue 1
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
Rigid-body motion in crystals – the application of constraints on the TLS model
journal, September 1975
- Rae, A. D.
- Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography, Vol. 31, Issue 5
Domain Walls Conductivity in Hybrid Organometallic Perovskites and Their Essential Role in CH3NH3PbI3 Solar Cell High Performance
journal, June 2015
- Rashkeev, Sergey N.; El-Mellouhi, Fedwa; Kais, Sabre
- Scientific Reports, Vol. 5, Issue 1
The Inorganic Chemistry of Materials: How to Make Things out of Elements
book, January 1998
- van der Put, Paul J.
Chemical accuracy for the van der Waals density functional
journal, December 2009
- Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
- Journal of Physics: Condensed Matter, Vol. 22, Issue 2
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
A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH 3 NH 3 PbX 3 (X = I, Br and Cl)
journal, January 2015
- Baikie, Tom; Barrow, Nathan S.; Fang, Yanan
- Journal of Materials Chemistry A, Vol. 3, Issue 17
CH3NH3PbX3, ein Pb(II)-System mit kubischer Perowskitstruktur / CH3NH3PbX3, a Pb(II)-System with Cubic Perovskite Structure
journal, December 1978
- Weber, Dieter
- Zeitschrift für Naturforschung B, Vol. 33, Issue 12
Neutron scattering study of the lattice dynamical phase transitions in KMnF3
journal, December 1970
- Shirane, G.; Minkiewicz, V. J.; Linz, A.
- Solid State Communications, Vol. 8, Issue 23
Treatment of hydrogen background in bulk and nanocrystalline neutron total scattering experiments
journal, May 2011
- Page, Katharine; White, Claire E.; Estell, Eben G.
- Journal of Applied Crystallography, Vol. 44, Issue 3
Phonon–Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites
journal, December 2015
- Karakus, Melike; Jensen, Søren A.; D’Angelo, Francesco
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 24
Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter‐wave spectroscopy
journal, December 1987
- Poglitsch, A.; Weber, D.
- The Journal of Chemical Physics, Vol. 87, Issue 11, p. 6373-6378
The Landau Theory of Phase Transitions
book, August 1987
- Tolédano, J. C.; Tolédano, P.
- World Scientific Lecture Notes in Physics, Vol. 3
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
journal, September 2012
- Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287
Calorimetric and IR spectroscopic studies of phase transitions in methylammonium trihalogenoplumbates (II)†
journal, January 1990
- Onoda-Yamamuro, Noriko; Matsuo, Takasuke; Suga, Hiroshi
- Journal of Physics and Chemistry of Solids, Vol. 51, Issue 12
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
Domain wall nanoelectronics
journal, February 2012
- Catalan, G.; Seidel, J.; Ramesh, R.
- Reviews of Modern Physics, Vol. 84, Issue 1
The expanding world of hybrid perovskites: materials properties and emerging applications
journal, March 2015
- Brittman, Sarah; Adhyaksa, Gede Widia Pratama; Garnett, Erik Christian
- MRS Communications, Vol. 5, Issue 1
Structural and optical properties of methylammonium lead iodide across the tetragonal to cubic phase transition: implications for perovskite solar cells
journal, January 2016
- Quarti, Claudio; Mosconi, Edoardo; Ball, James M.
- Energy & Environmental Science, Vol. 9, Issue 1
Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges
journal, July 2015
- Berry, Joseph; Buonassisi, Tonio; Egger, David A.
- Advanced Materials, Vol. 27, Issue 35
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
journal, July 2013
- Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
- Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038
Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO
journal, May 2012
- Allieta, Mattia; Scavini, Marco; Spalek, Leszek J.
- Physical Review B, Vol. 85, Issue 18
Charge carrier recombination channels in the low-temperature phase of organic-inorganic lead halide perovskite thin films
journal, August 2014
- Wehrenfennig, Christian; Liu, Mingzhen; Snaith, Henry J.
- APL Materials, Vol. 2, Issue 8
Local Structural Origins of the Distinct Electronic Properties of Nb-Substituted and
journal, November 2008
- Page, Katharine; Kolodiazhnyi, Taras; Proffen, Thomas
- Physical Review Letters, Vol. 101, Issue 20
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
A symmetry-mode description of rigid-body rotations in crystalline solids: a case study of Mg(H 2 O) 6 RbBr 3
journal, February 2014
- Müller, Melanie; Dinnebier, Robert E.; Dippel, Ann-Christin
- Journal of Applied Crystallography, Vol. 47, Issue 2
Electronic and ionic transport properties and other physical aspects of perovskites
journal, September 2004
- Goodenough, J. B.
- Reports on Progress in Physics, Vol. 67, Issue 11
Can ferroelectric polarization explain the high performance of hybrid halide perovskite solar cells?
journal, January 2016
- Sherkar, Tejas S.; Jan Anton Koster, L.
- Physical Chemistry Chemical Physics, Vol. 18, Issue 1
Rotational dynamics of organic cations in the CH 3 NH 3 PbI 3 perovskite
journal, January 2015
- Chen, Tianran; Foley, Benjamin J.; Ipek, Bahar
- Physical Chemistry Chemical Physics, Vol. 17, Issue 46
Temperature-Dependent Charge-Carrier Dynamics in CH 3 NH 3 PbI 3 Perovskite Thin Films
journal, September 2015
- Milot, Rebecca L.; Eperon, Giles E.; Snaith, Henry J.
- Advanced Functional Materials, Vol. 25, Issue 39
Neutron-scattering study on phase transitions of CsPb
journal, May 1974
- Fujii, Y.; Hoshino, S.; Yamada, Y.
- Physical Review B, Vol. 9, Issue 10
Phase transitions in the perovskite methylammonium lead bromide, CH3ND3PbBr3
journal, November 2003
- Swainson, I. P.; Hammond, R. P.; Soullière, C.
- Journal of Solid State Chemistry, Vol. 176, Issue 1
High-temperature phase transitions in
journal, February 1999
- Kennedy, Brendan J.; Howard, Christopher J.; Chakoumakos, Bryan C.
- Physical Review B, Vol. 59, Issue 6
Structural Study on Cubic–Tetragonal Transition of CH 3 NH 3 PbI 3
journal, July 2002
- Kawamura, Yukihiko; Mashiyama, Hiroyuki; Hasebe, Katsuhiko
- Journal of the Physical Society of Japan, Vol. 71, Issue 7
Isotopic Polymorphism in Pyridine
journal, January 2009
- Crawford, Stephen; Kirchner, Michael T.; Bläser, Dieter
- Angewandte Chemie International Edition, Vol. 48, Issue 4
Kinetics of Phase Change. I General Theory
journal, December 1939
- Avrami, Melvin
- The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112
Powgen: A third-generation highresolution high-throughput powder diffraction instrument at the Spallation Neutron Source
book, December 2011
- Huq, A.; Hodges, J. P.; Gourdon, O.
- European Powder Diffraction Conference; August 2010, Darmstadt, Germany
Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K
journal, January 2015
- Weller, Mark T.; Weber, Oliver J.; Henry, Paul F.
- Chemical Communications, Vol. 51, Issue 20
Ore lead isotope ratios in a continuously changing earth
journal, December 1975
- Cumming, G. L.; Richards, J. R.
- Earth and Planetary Science Letters, Vol. 28, Issue 2
Lattice Dynamics and Phase Transitions of Strontium Titanate
journal, May 1964
- Cowley, R. A.
- Physical Review, Vol. 134, Issue 4A
The classification of tilted octahedra in perovskites
journal, November 1972
- Glazer, A. M.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
Orientation of Organic Cations in Hybrid Inorganic–Organic Perovskite CH 3 NH 3 PbI 3 from Subatomic Resolution Single Crystal Neutron Diffraction Structural Studies
journal, April 2016
- Ren, Yixin; Oswald, Iain W. H.; Wang, Xiaoping
- Crystal Growth & Design, Vol. 16, Issue 5
Alkylammonium lead halides. Part 2. CH 3 NH 3 PbX 3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation
journal, March 1990
- Knop, Osvald; Wasylishen, Roderick E.; White, Mary Anne
- Canadian Journal of Chemistry, Vol. 68, Issue 3
Structure of Methylammonium Lead Iodide Within Mesoporous Titanium Dioxide: Active Material in High-Performance Perovskite Solar Cells
journal, December 2013
- Choi, Joshua J.; Yang, Xiaohao; Norman, Zachariah M.
- Nano Letters, Vol. 14, Issue 1, p. 127-133
Molecular Motion in Solid Tetrapropylammonium Bromide and Iodide
journal, November 1992
- Lewicki, S.; Szafranska, B.; Pajak, Z.
- Zeitschrift für Naturforschung A, Vol. 47, Issue 11
Isotopic Polymorphism in Pyridine
journal, January 2009
- Crawford, Stephen; Kirchner, Michael T.; Bläser, Dieter
- Angewandte Chemie, Vol. 121, Issue 4
Parallel Nanoimprint Forming of One-Dimensional Chiral Semiconductor for Strain-Engineered Optical Properties
journal, August 2020
- Wang, Yixiu; Jin, Shengyu; Wang, Qingxiao
- Nano-Micro Letters, Vol. 12, Issue 1
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
Phase transitions in ferroelastic and co-elastic crystals
journal, February 1992
- Redfern, S. A. T.
- Physics of the Earth and Planetary Interiors, Vol. 70, Issue 1-2
Phase transitions in ferroelastic and co-elastic crystals
journal, December 1991
- Frey, F.
- Tectonophysics, Vol. 200, Issue 1-3
Chemical accuracy for the van der Waals density functional
preprint, January 2009
- Klimes, J.; Bowler, D. R.; Michaelides, A.
- arXiv
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
journal, September 2012
- Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287
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
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
journal, July 2013
- Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
- Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038
Ultra-Low Thermal Conductivity in Organic–Inorganic Hybrid Perovskite CH 3 NH 3 PbI 3
journal, July 2014
- Pisoni, Andrea; Jaćimović, Jaćim; Barišić, Osor S.
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 14
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
Structure of Methylammonium Lead Iodide Within Mesoporous Titanium Dioxide: Active Material in High-Performance Perovskite Solar Cells
journal, December 2013
- Choi, Joshua J.; Yang, Xiaohao; Norman, Zachariah M.
- Nano Letters, Vol. 14, Issue 1, p. 127-133
Domain Walls Conductivity in Hybrid Organometallic Perovskites and Their Essential Role in CH3NH3PbI3 Solar Cell High Performance
journal, June 2015
- Rashkeev, Sergey N.; El-Mellouhi, Fedwa; Kais, Sabre
- Scientific Reports, Vol. 5, Issue 1
Kinetics of Phase Change. I General Theory
journal, December 1939
- Avrami, Melvin
- The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112
Intrinsic Mobility Limiting Mechanisms in Lanthanum-Doped Strontium Titanate
journal, May 2014
- Verma, Amit; Kajdos, Adam P.; Cain, Tyler A.
- Physical Review Letters, Vol. 112, Issue 21
Lifshitz-Point Critical and Tricritical Behavior in Anisotropically Stressed Perovskites
journal, February 1979
- Aharony, Amnon; Bruce, Alastair D.
- Physical Review Letters, Vol. 42, Issue 7
Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals
journal, July 1994
- Lynden-Bell, R. M.; Michel, K. H.
- Reviews of Modern Physics, Vol. 66, Issue 3
Validation of crystallographic models containing TLS or other descriptions of anisotropy
journal, July 2010
- Zucker, Frank; Champ, P. Christoph; Merritt, Ethan A.
- Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 8
The expanding world of hybrid perovskites: materials properties and emerging applications
journal, March 2015
- Brittman, Sarah; Adhyaksa, Gede Widia Pratama; Garnett, Erik Christian
- MRS Communications, Vol. 5, Issue 1
Rotational Dynamics of Organic Cations in CH3NH3PbI3 Perovskite
text, January 2015
- Chen, T.; Foley, B. J.; Ipek, B.
- arXiv
Works referencing / citing this record:
Self-Organized Superlattice and Phase Coexistence inside Thin Film Organometal Halide Perovskite
journal, January 2018
- Kim, Tae Woong; Uchida, Satoshi; Matsushita, Tomonori
- Advanced Materials, Vol. 30, Issue 8
Exploring Anomalous Polarization Dynamics in Organometallic Halide Perovskites
journal, January 2018
- Ahmadi, Mahshid; Collins, Liam; Puretzky, Alexander
- Advanced Materials, Vol. 30, Issue 11
Intrinsic Instability of Inorganic–Organic Hybrid Halide Perovskite Materials
journal, December 2018
- Park, Byung‐wook; Seok, Sang Il
- Advanced Materials, Vol. 31, Issue 20
Tracking Structural Phase Transitions in Lead‐Halide Perovskites by Means of Thermal Expansion
journal, April 2019
- Keshavarz, Masoumeh; Ottesen, Martin; Wiedmann, Steffen
- Advanced Materials
Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells
journal, February 2020
- Tan, Shaun; Yavuz, Ilhan; De Marco, Nicholas
- Advanced Materials, Vol. 32, Issue 11
Understanding the Instability of the Halide Perovskite CsPbI 3 through Temperature‐Dependent Structural Analysis
journal, July 2020
- Straus, Daniel B.; Guo, Shu; Abeykoon, AM Milinda
- Advanced Materials, Vol. 32, Issue 32
Machine Learning Stability and Bandgaps of Lead‐Free Perovskites for Photovoltaics
journal, November 2019
- Stanley, Jared C.; Mayr, Felix; Gagliardi, Alessio
- Advanced Theory and Simulations, Vol. 3, Issue 1
Conducting Bridge Resistive Switching Behaviors in Cubic MAPbI 3 , Orthorhombic RbPbI 3 , and Their Mixtures
journal, November 2018
- Lee, SangMyeong; Choi, Jaeho; Jeon, Jae Bum
- Advanced Electronic Materials, Vol. 5, Issue 2
Drying Dynamics of Solution‐Processed Perovskite Thin‐Film Photovoltaics: In Situ Characterization, Modeling, and Process Control
journal, August 2019
- Ternes, Simon; Börnhorst, Tobias; Schwenzer, Jonas A.
- Advanced Energy Materials, Vol. 9, Issue 39
Influence of Grain Size on Phase Transitions in Halide Perovskite Films
journal, August 2019
- Stavrakas, Camille; Zelewski, Szymon J.; Frohna, Kyle
- Advanced Energy Materials, Vol. 9, Issue 35
Structural Evolution During Perovskite Crystal Formation and Degradation: In Situ and Operando X‐Ray Diffraction Studies
journal, November 2019
- Mundt, Laura E.; Schelhas, Laura T.
- Advanced Energy Materials
Structures of a Complex Hydrazinium Lead Iodide, (N 2 H 5 ) 15 Pb 3 I 21 , Possessing [Pb 2 I 9 ] 5− , [PbI 6 ] 4− , and I − Ions and α- and β-(N 2 H 5 )PbI 3
journal, December 2017
- Campbell, Eric V.; Dick, Brandon; Rheingold, Arnold L.
- Chemistry - A European Journal, Vol. 24, Issue 1
Tailoring the Band Gap in 3D Hybrid Perovskites by Substitution of the Organic Cations: (CH 3 NH 3 ) 1−2 y (NH 3 (CH 2 ) 2 NH 3 ) 2 y Pb 1− y I 3 (0≤ y ≤0.25)
journal, June 2018
- Daub, Michael; Hillebrecht, Harald
- Chemistry - A European Journal, Vol. 24, Issue 36
Organic‐Inorganic Hybrid Perovskite Single Crystals: Crystallization, Molecular Structures, and Bandgap Engineering
journal, January 2019
- Zuo, Tiantian; He, Xuexia; Hu, Peng
- ChemNanoMat, Vol. 5, Issue 3
Enhancing High Humidity Stability of Quasi‐2D Perovskite Thin Films through Mixed Cation Doping and Solvent Engineering
journal, May 2019
- Naikaew, Atittaya; Kumnorkaew, Pisist; Supasai, Thidarat
- ChemNanoMat, Vol. 5, Issue 10
Switchable Dielectric Constant in the Cyanometalate-Based Hydrogen-Bonded [(CH 3 ) 2 NH 2 ] 2 (H 3 O)[Co(CN) 6 ] Framework : Switchable Dielectric Constant in the Cyanometalate-Based Hydrogen-Bonded [(CH
journal, June 2017
- Shi, Chao; Wang, Ya; Han, Xiang-Bin
- European Journal of Inorganic Chemistry, Vol. 2017, Issue 31
Stability Issue of Perovskite Solar Cells under Real‐World Operating Conditions
journal, April 2020
- Wu, Mian; Haji Ladi, Najib; Yi, Zijun
- Energy Technology, Vol. 8, Issue 4
Halogen in materials design: Fluoroammonium lead triiodide (FNH 3 PbI 3 ) perovskite as a newly discovered dynamical bandgap semiconductor in 3D
journal, March 2018
- Varadwaj, Arpita; Varadwaj, Pradeep R.; Yamashita, Koichi
- International Journal of Quantum Chemistry, Vol. 118, Issue 15
Polar rotor scattering as atomic-level origin of low mobility and thermal conductivity of perovskite CH3NH3PbI3
journal, June 2017
- Li, Bing; Kawakita, Yukinobu; Liu, Yucheng
- Nature Communications, Vol. 8, Issue 1
Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals
journal, May 2018
- Frohna, Kyle; Deshpande, Tejas; Harter, John
- Nature Communications, Vol. 9, Issue 1
Cross-plane coherent acoustic phonons in two-dimensional organic-inorganic hybrid perovskites
journal, May 2018
- Guo, Peijun; Stoumpos, Constantinos C.; Mao, Lingling
- Nature Communications, Vol. 9, Issue 1
Slow thermal equilibration in methylammonium lead iodide revealed by transient mid-infrared spectroscopy
journal, July 2018
- Guo, Peijun; Gong, Jue; Sadasivam, Sridhar
- Nature Communications, Vol. 9, Issue 1
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor
journal, January 2019
- Varadwaj, Pradeep R.; Varadwaj, Arpita; Marques, Helder M.
- Scientific Reports, Vol. 9, Issue 1
Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane
journal, January 2017
- Kowalewska, A.; Nowacka, M.; Włodarska, M.
- Phys. Chem. Chem. Phys., Vol. 19, Issue 40
Probing the structure–property–composition relationship in organic–inorganic tri-halide perovskites
journal, January 2018
- Payne, Julia L.; Ni, Chengsheng; Harwell, Jonathon R.
- Physical Chemistry Chemical Physics, Vol. 20, Issue 31
A theoretical study of perovskites related to CH 3 NH 3 PbX 3 (X = F, Cl, Br, I)
journal, January 2018
- Alkorta, Ibon; Elguero, José
- New Journal of Chemistry, Vol. 42, Issue 16
Remarkable long-term stability of nanoconfined metal–halide perovskite crystals against degradation and polymorph transitions
journal, January 2018
- Kong, Xiaoqing; Shayan, Kamran; Lee, Sangchul
- Nanoscale, Vol. 10, Issue 17
Investigation of high contrast and reversible luminescence thermochromism of the quantum confined Cs 4 PbBr 6 perovskite solid
journal, January 2019
- Choi, Jin Woo; Cho, Namchul; Woo, Hee Chul
- Nanoscale, Vol. 11, Issue 12
Liquid water-induced growth of the 1D morphology of CH 3 NH 3 PbI 3 hybrid perovskites
journal, January 2019
- Bonadio, A.; de Oliveira, L. S.; Polo, A. S.
- CrystEngComm, Vol. 21, Issue 48
Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells
journal, January 2020
- Kim, Eun Mi; Javaid, Saqib; Park, Jong Hyeok
- Physical Chemistry Chemical Physics, Vol. 22, Issue 5
Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites
journal, January 2019
- Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna
- Dalton Transactions, Vol. 48, Issue 42
Additive-assisted synthesis and optoelectronic properties of (CH 3 NH 3 ) 4 Bi 6 I 22
journal, January 2020
- Sharma, Manila; Yangui, Aymen; Lusson, Alain
- Inorganic Chemistry Frontiers, Vol. 7, Issue 7
Room temperature crystal structure and high temperature structural and magnetic phase transitions in Sr(Fe 0.5 Nb 0.5 )O 3 ceramic
journal, May 2019
- Kumar, Sushil; Singh, Akhilesh Kumar
- Journal of Applied Physics, Vol. 125, Issue 17
Size and temperature dependence of photoluminescence of hybrid perovskite nanocrystals
journal, October 2019
- Naghadeh, Sara Bonabi; Sarang, Som; Brewer, Amanda
- The Journal of Chemical Physics, Vol. 151, Issue 15
Evaluation of the AMOEBA force field for simulating metal halide perovskites in the solid state and in solution
journal, January 2020
- Rathnayake, P. V. G. M.; Bernardi, Stefano; Widmer-Cooper, Asaph
- The Journal of Chemical Physics, Vol. 152, Issue 2
Thermal stability of mobility in methylammonium lead iodide
journal, November 2019
- Hong, Min Ji; Svadlenak, Scott R.; Goulas, Konstantinos A.
- Journal of Physics: Materials, Vol. 3, Issue 1
Ferroic multipolar order and disorder in cyanoelpasolite molecular perovskites
journal, May 2019
- Coates, C. S.; Gray, H. J.; Bulled, J. M.
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2149
Free-electron effects on the optical absorption of the hybrid perovskite from first principles
journal, July 2019
- Leveillee, Joshua; Schleife, André
- Physical Review B, Vol. 100, Issue 3
Investigating temperature-induced structural changes of lead halide perovskites by in situ X-ray powder diffraction
journal, September 2019
- Caliandro, Rocco; Altamura, Davide; Belviso, Benny Danilo
- Journal of Applied Crystallography, Vol. 52, Issue 5
An algebraic approach to cooperative rotations in networks of interconnected rigid units
journal, August 2018
- Campbell, Branton; Howard, Christopher J.; Averett, Tyler B.
- Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue 5
Emerging Characterizing Techniques in the Fine Structure Observation of Metal Halide Perovskite Crystal
journal, May 2018
- Shen, Kongchao; Hu, Jinping; Liang, Zhaofeng
- Crystals, Vol. 8, Issue 6
Interfacial Residual Stress Relaxation in Perovskite Solar Cells with Improved Stability
journal, October 2019
- Wang, Hao; Zhu, Cheng; Liu, Lang
- Advanced Materials, Vol. 31, Issue 48
Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices
journal, January 2019
- Guo, Peijun; Mannodi-Kanakkithodi, Arun; Gong, Jue
- Nature Communications, Vol. 10, Issue 1
Switchable dielectric phase transition behaviors in two organic–inorganic copper( ii ) halides with distinct coordination geometries
journal, January 2018
- Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing
- CrystEngComm, Vol. 20, Issue 40
Computational screening of methylammonium based halide perovskites with bandgaps suitable for perovskite-perovskite tandem solar cells
journal, December 2018
- Kar, M.; Körzdörfer, T.
- The Journal of Chemical Physics, Vol. 149, Issue 21
Structure-controlled optical thermoresponse in Ruddlesden-Popper layered perovskites
journal, November 2018
- Cortecchia, D.; Neutzner, S.; Yin, J.
- APL Materials, Vol. 6, Issue 11
Microscopic calculation of the optical properties and intrinsic losses in the methylammonium lead iodide perovskite system
journal, January 2019
- Bannow, Lars C.; Hader, Jörg; Moloney, Jerome V.
- APL Materials, Vol. 7, Issue 1
A new long-range sub-structure found in the tetragonal phase of CH 3 NH 3 PbI 3 single crystals
journal, May 2019
- Jacques, V. L. R.; Gallo-Frantz, A.; Tejeda, A.
- Journal of Physics D: Applied Physics, Vol. 52, Issue 31
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
journal, June 2019
- Jinnouchi, Ryosuke; Lahnsteiner, Jonathan; Karsai, Ferenc
- Physical Review Letters, Vol. 122, Issue 22
Tracking Structural Phase Transitions in Lead‐Halide Perovskites by Means of Thermal Expansion
text, January 2019
- Keshavarz, Masoumeh; Ottesen, Martin; Wiedmann, Steffen
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Perovskites-Based Solar Cells: A Review of Recent Progress, Materials and Processing Methods
journal, May 2018
- Shi, Zhengqi; Jayatissa, Ahalapitiya
- Materials, Vol. 11, Issue 5
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
text, January 2017
- Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
- Columbia University
Room‐Temperature Cubic Phase Crystallization and High Stability of Vacuum‐Deposited Methylammonium Lead Triiodide Thin Films for High‐Efficiency Solar Cells
journal, August 2019
- Palazon, Francisco; Pérez‐del‐Rey, Daniel; Dänekamp, Benedikt
- Advanced Materials, Vol. 31, Issue 39
Efficient and Stable Inorganic Perovskite Solar Cells Manufactured by Pulsed Flash Infrared Annealing
journal, September 2018
- Sanchez, Sandy; Christoph, Neururer; Grobety, Bernard
- Advanced Energy Materials, Vol. 8, Issue 30
Atomic‐Resolution Imaging of Halide Perovskites Using Electron Microscopy
journal, February 2020
- Song, Kepeng; Liu, Lingmei; Zhang, Daliang
- Advanced Energy Materials, Vol. 10, Issue 26
Crystal reorientation in methylammonium lead iodide perovskite thin film with thermal annealing
journal, January 2019
- Kavadiya, Shalinee; Strzalka, Joseph; Niedzwiedzki, Dariusz M.
- Journal of Materials Chemistry A, Vol. 7, Issue 20
Non-Perovskite Hybrid Material, Imidazolium Lead Iodide, with Enhanced Stability
journal, October 2018
- Seth, Charu; Khushalani, Deepa
- ChemNanoMat, Vol. 5, Issue 1
Growth, characterization, and thin film transistor application of CH 3 NH 3 PbI 3 perovskite on polymeric gate dielectric layers
journal, January 2017
- Ngai, Jenner H. L.; Ho, Johnny K. W.; Chan, Rocky K. H.
- RSC Adv., Vol. 7, Issue 78
Structural fluctuations cause spin-split states in tetragonal (CH 3 NH 3 )PbI 3 as evidenced by the circular photogalvanic effect
journal, September 2018
- Niesner, Daniel; Hauck, Martin; Shrestha, Shreetu
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 38
Effect of annealing temperature on the phase transition, band gap and thermoelectric properties of Cu 2 SnSe 3
journal, January 2018
- Siyar, Muhammad; Cho, Jun-Young; Youn, Yong
- Journal of Materials Chemistry C, Vol. 6, Issue 7
Efficient perovskite solar cells fabricated by manganese cations incorporated in hybrid perovskites
journal, January 2019
- Liu, Wei; Chu, Liang; Liu, Nanjing
- Journal of Materials Chemistry C, Vol. 7, Issue 38
Structural dynamics in hybrid halide perovskites: Bulk Rashba splitting, spin texture, and carrier localization
text, January 2018
- Zheng, Chao; Yu, Shidong; Rubel, Oleg
- arXiv
Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference
text, January 2019
- Jinnouchi, Ryosuke; Lahnsteiner, Jonathan; Karsai, Ferenc
- arXiv
Understanding the Instability of the Halide Perovskite CsPbI$_3$ through Temperature-Dependent Structural Analysis
text, January 2020
- Straus, Daniel B.; Guo, Shu; Abeykoon, Milinda
- arXiv
Perovskite synthesis, properties and their related biochemical and industrial application
journal, September 2019
- Assirey, Eman Abdul Rahman
- Saudi Pharmaceutical Journal, Vol. 27, Issue 6
The Relation between Rotational Dynamics of the Organic Cation and Phase Transitions in Hybrid Halide Perovskites
journal, May 2019
- Maheshwari, Sudeep; Fridriksson, Magnus B.; Seal, Sayan
- The Journal of Physical Chemistry C, Vol. 123, Issue 23
Unraveling the Water Degradation Mechanism of CH 3 NH 3 PbI 3
journal, July 2019
- Zheng, Chao; Rubel, Oleg
- The Journal of Physical Chemistry C, Vol. 123, Issue 32
Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals
journal, May 2018
- Frohna, Kyle; Deshpande, Tejas; Harter, John
- Nature Communications, Vol. 9, Issue 1
Cross-plane coherent acoustic phonons in two-dimensional organic-inorganic hybrid perovskites
journal, May 2018
- Guo, Peijun; Stoumpos, Constantinos C.; Mao, Lingling
- Nature Communications, Vol. 9, Issue 1
Slow thermal equilibration in methylammonium lead iodide revealed by transient mid-infrared spectroscopy
journal, July 2018
- Guo, Peijun; Gong, Jue; Sadasivam, Sridhar
- Nature Communications, Vol. 9, Issue 1
Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices
journal, January 2019
- Guo, Peijun; Mannodi-Kanakkithodi, Arun; Gong, Jue
- Nature Communications, Vol. 10, Issue 1
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor
journal, January 2019
- Varadwaj, Pradeep R.; Varadwaj, Arpita; Marques, Helder M.
- Scientific Reports, Vol. 9, Issue 1
Acoustic phonon lifetimes limit thermal transport in methylammonium lead iodide
journal, November 2018
- Gold-Parker, Aryeh; Gehring, Peter M.; Skelton, Jonathan M.
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 47
Perovskites-Based Solar Cells: A Review of Recent Progress, Materials and Processing Methods
journal, May 2018
- Shi, Zhengqi; Jayatissa, Ahalapitiya
- Materials, Vol. 11, Issue 5
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
text, January 2017
- Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
- Columbia University