The DOI matches its Crossref record; 51 of the 51 references it cites were found in a registry or an index.
Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
Open accessAbstract
We have examined the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI 3) 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 ∼ (T c−T)β, where T c is the critical temperature and the exponent β was close to ¼, as predicted for a tricritical phase transition. However, 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. Based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI 3 based solar cells.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
Kinetics of Phase Change. I General Theory
Avrami, M. (1939) · The Journal of Chemical Physics · doi:10.1063/1.1750380 · Cited by 11,399
High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
Yang, W. S., Noh, J. H., Jeon, N. J., Kim, Y. C., Ryu, S., Seo, J., & Seok, S. I. (2015) · Science · doi:10.1126/science.aaa9272 · Cited by 6,251
The Hydrogen Bond in the Solid State
Steiner, T. (2002) · Angewandte Chemie International Edition · doi:10.1002/1521-3773(20020104)41:1<48::aid-anie48>3.0.co;2-u · Cited by 6,247
Stoumpos, C. C., Malliakas, C. D., & Kanatzidis, M. G. (2013) · Inorganic Chemistry · doi:10.1021/ic401215x · Cited by 5,416
The classification of tilted octahedra in perovskites
Glazer, A. M. (1972) · Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry · doi:10.1107/s0567740872007976 · Cited by 3,901
Chemical accuracy for the van der Waals density functional
Klimeš, J., Bowler, D. R., & Michaelides, A. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/2/022201 · Cited by 3,587
Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter-wave spectroscopy
Poglitsch, A., & Weber, D. (1987) · The Journal of Chemical Physics · doi:10.1063/1.453467 · Cited by 1,625
Electron–phonon coupling in hybrid lead halide perovskites
Wright, A. D., Verdi, C., Milot, R. L., Eperon, G. E., Pérez-Osorio, M. A., Snaith, H. J., Giustino, F., Johnston, M. B., & Herz, L. M. (2016) · Nature Communications · doi:10.1038/ncomms11755 · Cited by 1,374
Catalan, G., Seidel, J., Ramesh, R., & Scott, J. F. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.119 · Cited by 1,265
Octahedral Tilting in Perovskites. I. Geometrical Considerations
Woodward, P. M. (1997) · Acta Crystallographica Section B Structural Science · doi:10.1107/s0108768196010713 · Cited by 1,126
Avrami, M. (1940) · Medical Entomology and Zoology · Cited by 1,085
Ore lead isotope ratios in a continuously changing earth
Cumming, G. L., & Richards, J. R. (1975) · Earth and Planetary Science Letters · doi:10.1016/0012-821x(75)90223-x · Cited by 1,049
Temperature‐Dependent Charge‐Carrier Dynamics in CH3NH3PbI3 Perovskite Thin Films
Milot, R. L., Eperon, G. E., Snaith, H. J., Johnston, M. B., & Herz, L. M. (2015) · Advanced Functional Materials · doi:10.1002/adfm.201502340 · Cited by 980
On the rigid-body motion of molecules in crystals
Schomaker, V., & Trueblood, K. N. (1968) · Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry · doi:10.1107/s0567740868001718 · Cited by 945
Lattice Dynamics and Phase Transitions of Strontium Titanate
Cowley, R. A. (1964) · Physical Review · doi:10.1103/physrev.134.a981 · Cited by 750
Group-Theoretical Analysis of Octahedral Tilting in Perovskites
Howard, C. J., & Stokes, H. T. (1998) · Acta Crystallographica Section B Structural Science · doi:10.1107/s0108768198004200 · Cited by 746
Weber, D. (1978) · Zeitschrift für Naturforschung B · doi:10.1515/znb-1978-1214 · Cited by 716
Electronic and ionic transport properties and other physical aspects of perovskites
Goodenough, J. B. (2004) · Reports on Progress in Physics · doi:10.1088/0034-4885/67/11/r01 · Cited by 701
The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells
Leguy, A. M. A., Frost, J. M., McMahon, A. P., Sakai, V. G., Kockelmann, W., Law, C., Li, X., Foglia, F., Walsh, A., O’Regan, B. C., et al. (2015) · Nature Communications · doi:10.1038/ncomms8124 · Cited by 647
Weller, M. T., Weber, O. J., Henry, P. F., Di Pumpo, A. M., & Hansen, T. C. (2015) · Chemical Communications · doi:10.1039/c4cc09944c · Cited by 614
Onoda-Yamamuro, N., Matsuo, T., & Suga, H. (1990) · Journal of Physics and Chemistry of Solids · doi:10.1016/0022-3697(90)90021-7 · Cited by 533
Ultra-Low Thermal Conductivity in Organic–Inorganic Hybrid Perovskite CH3NH3PbI3
Pisoni, A., Jaćimović, J., Barišić, O. S., Spina, M., Gaál, R., Forró, L., & Horváth, E. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz5012109 · Cited by 521
Quarti, C., Mosconi, E., Ball, J. M., D'Innocenzo, V., Tao, C., Pathak, S., Snaith, H. J., Petrozza, A., & De Angelis, F. (2016) · Energy & Environmental Science · doi:10.1039/c5ee02925b · Cited by 521
Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3
Kawamura, Y., Mashiyama, H., & Hasebe, K. (2002) · Journal of the Physical Society of Japan · doi:10.1143/jpsj.71.1694 · Cited by 510
Hybrid Organic–Inorganic Perovskites (HOIPs): Opportunities and Challenges
Berry, J., Buonassisi, T., Egger, D. A., Hodes, G., Kronik, L., Loo, Y., Lubomirsky, I., Marder, S. R., Mastai, Y., Miller, J. S., et al. (2015) · Advanced Materials · doi:10.1002/adma.201502294 · Cited by 460
Dielectric study of CH3NH3PbX3 (X = Cl, Br, I)
Onoda-Yamamuro, N., Matsuo, T., & Suga, H. (1992) · Journal of Physics and Chemistry of Solids · doi:10.1016/0022-3697(92)90121-s · Cited by 424
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
Neuefeind, J. C., Feygenson, M., Carruth, J. W., et al. (2012) · Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · doi:10.1016/j.nimb.2012.05.037 · Cited by 386
Cation rotation in methylammonium lead halides
Wasylishen, R. E., Knop, O., & Macdonald, J. B. (1985) · Solid State Communications · doi:10.1016/0038-1098(85)90959-7 · Cited by 355
Liu, S., Zheng, F., Koocher, N. Z., Takenaka, H., Wang, F., & Rappe, A. M. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/jz502666j · Cited by 331
Baikie, T., Barrow, N. S., Fang, Y., Keenan, P. J., Slater, P. R., Piltz, R. O., Gutmann, M., Mhaisalkar, S. G., & White, T. J. (2015) · Journal of Materials Chemistry A · doi:10.1039/c5ta01125f · Cited by 304
Choi, J. J., Yang, X., Norman, Z. M., Billinge, S. J. L., & Owen, J. S. (2014) · Nano Letters · doi:10.1021/nl403514x · Cited by 298
Knop, O., Wasylishen, R. E., White, M. A., Cameron, T. S., & Oort, M. J. M. V. (1990) · Canadian Journal of Chemistry · doi:10.1139/v90-063 · Cited by 286
Über die Cäsium‐ und Kalium‐Bleihalogenide
Wells, H. L. (1893) · Zeitschrift für anorganische Chemie · doi:10.1002/zaac.18930030124 · Cited by 265
Solid-State Physics Perspective on Hybrid Perovskite Semiconductors
Even, J., Pedesseau, L., Katan, C., Kepenekian, M., Lauret, J.-S., Sapori, D., & Deleporte, E. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b00695 · Cited by 254
Wehrenfennig, C., Liu, M., Snaith, H. J., Johnston, M. B., & Herz, L. M. (2014) · APL Materials · doi:10.1063/1.4891595 · Cited by 251
Rotational dynamics of organic cations in the CH3NH3PbI3perovskite
Chen, T., Foley, B. J., Ipek, B., Tyagi, M., Copley, J. R. D., Brown, C. M., Choi, J. J., & Lee, S.-H. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp05348j · Cited by 249
Neutron-scattering study on phase transitions of CsPbCl3
Fujii, Y., Hoshino, S., Yamada, Y., & Shirane, G. (1974) · Physical Review B · doi:10.1103/physrevb.9.4549 · Cited by 236
Phonon–Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites
Karakus, M., Jensen, S. A., D’Angelo, F., Turchinovich, D., Bonn, M., & Cánovas, E. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b02485 · Cited by 220
The expanding world of hybrid perovskites: materials properties and emerging applications
Brittman, S., Adhyaksa, G. W. P., & Garnett, E. C. (2015) · MRS Communications · doi:10.1557/mrc.2015.6 · Cited by 188
Phase transitions in the perovskite methylammonium lead bromide, CH3ND3PbBr3
Swainson, I. P., Hammond, R. P., Soullière, C., Knop, O., & Massa, W. (2003) · Journal of Solid State Chemistry · doi:10.1016/s0022-4596(03)00352-9 · Cited by 186
Ferroelastic Fingerprints in Methylammonium Lead Iodide Perovskite
Hermes, I. M., Bretschneider, S. A., Bergmann, V. W., Li, D., Klasen, A., Mars, J., Tremel, W., Laquai, F., Butt, H.-J., Mezger, M., et al. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b11469 · Cited by 176
Photovoltaic behaviour of lead methylammonium triiodide perovskite solar cells down to 80 K
Zhang, H., Qiao, X., Shen, Y. F., Moehl, T., Zakeeruddin, S. M., Grätzel, M., & Wang, M. (2015) · Journal of Materials Chemistry A · doi:10.1039/c5ta02206a · Cited by 153
Neutron scattering study of the lattice dynamical phase transition in V3Si
Shirane, G., Axe, J. D., & Birgeneau, R. J. (1971) · Solid State Communications · doi:10.1016/0038-1098(71)90530-8 · Cited by 134
Intrinsic Mobility Limiting Mechanisms in Lanthanum-Doped Strontium Titanate
Verma, A. K., Kajdos, A. P., Cain, T. A., et al. (2014) · Physical Review Letters · doi:10.1103/physrevlett.112.216601 · Cited by 103
Local Structural Origins of the Distinct Electronic Properties of Nb-Substituted SrTiO3 and BaTiO3
Page, K. L., Kolodiazhnyi, T. V., Proffen, T. E., Cheetham, A. K., & Seshadri, R. (2008) · Physical Review Letters · doi:10.1103/physrevlett.101.205502 · Cited by 85
Self-citationRashkeev, S. N., El‐Mellouhi, F., Kais, S., & Alharbi, F. H. (2015) · Scientific Reports · doi:10.1038/srep11467 · Cited by 47
Treatment of hydrogen background in bulk and nanocrystalline neutron total scattering experiments
Page, K. L., White, C. E., Estell, E. G., Neder, R. B., Llobet, A., & Proffen, T. E. (2011) · Journal of Applied Crystallography · doi:10.1107/s0021889811001609 · Cited by 28
Self-citationCH3NH3PBX3, EIN PB(II)-SYSTEM MIT KUBISCHER PEROWSKITSTRUKTUR
Weber, D. (1978) · Cited by 24
Cited by
Prasanna, R., Gold-Parker, A., Leijtens, T., Conings, B., Babayigit, A., Boyen, H.-G., Toney, M. F., & McGehee, M. D. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b04981 · Cited by 893
Jinnouchi, R., Lahnsteiner, J., Karsai, F., Kresse, G., & Bokdam, M. (2019) · Physical Review Letters · doi:10.1103/physrevlett.122.225701 · Cited by 635
Synthetic Approaches for Halide Perovskite Thin Films
Dunlap-Shohl, W. A., Zhou, Y., Padture, N. P., & Mitzi, D. B. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00318 · Cited by 631
Interfacial Residual Stress Relaxation in Perovskite Solar Cells with Improved Stability
Wang, H., Zhu, C., Liu, L., Ma, S., Liu, P., Wu, J., Shi, C., Du, Q., Hao, Y., Xiang, S., et al. (2019) · Advanced Materials · doi:10.1002/adma.201904408 · Cited by 499
Perovskite synthesis, properties and their related biochemical and industrial application
Assirey, E. A. R. (2019) · Saudi Pharmaceutical Journal · doi:10.1016/j.jsps.2019.05.003 · Cited by 445
Metadata
- Authors
- Whitfield, P. S., Herron, N., Guise, W. E., Page, K., Cheng, Y. Q., Milas, I., & Crawford, M. K.
- Venue
- Scientific Reports
- Published
- 2016-10-21
- Volume
- 6
- Issue
- 1
- Pages
- 35685-35685
- ISSN
- 2045-2322 (ISSN-L)
- OpenAlex
- W2537132801
- Cited by
- 586
- References
- 51
- FWCI
- 25.15
- Type
- journal article
- Language
- en
- Open access
- gold
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.