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Volumn 26, Issue 22, 2014, Pages 6557-6569

Interplay of orientational order and electronic structure in methylammonium lead iodide: Implications for solar cell operation

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROELECTRICITY; CALCULATIONS; ELECTRONIC STRUCTURE; ENERGY GAP; FERROELECTRICITY; IODINE COMPOUNDS; LAYERED SEMICONDUCTORS; MOLECULAR DYNAMICS; PEROVSKITE; PEROVSKITE SOLAR CELLS; POSITIVE IONS; ROTATION; SOLAR CELLS; STEREOCHEMISTRY;

EID: 84912550730     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm5032046     Document Type: Article
Times cited : (295)

References (65)
  • 4
    • 84895922206 scopus 로고    scopus 로고
    • High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites
    • Wehrenfennig, C.; Eperon, G. E.; Johnston, M. B.; Snaith, H. J.; Herz, L. M. High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites Adv. Mater. 2014, 26, 1584-1589
    • (2014) Adv. Mater. , vol.26 , pp. 1584-1589
    • Wehrenfennig, C.1    Eperon, G.E.2    Johnston, M.B.3    Snaith, H.J.4    Herz, L.M.5
  • 5
    • 84898007099 scopus 로고    scopus 로고
    • Organometal Halide Perovskite Solar Cell Materials Rationalized: Ultrafast Charge Generation, High and Microsecond-Long Balanced Mobilities, and Slow Recombination
    • Ponseca, C. S.; Savenije, T. J.; Abdellah, M.; Zheng, K.; Yartsev, A.; Pascher, T.; Harlang, T.; Chabera, P.; Pullerits, T.; Stepanov, A. Organometal Halide Perovskite Solar Cell Materials Rationalized: Ultrafast Charge Generation, High and Microsecond-Long Balanced Mobilities, and Slow Recombination J. Am. Chem. Soc. 2014, 136, 5189-5192
    • (2014) J. Am. Chem. Soc. , vol.136 , pp. 5189-5192
    • Ponseca, C.S.1    Savenije, T.J.2    Abdellah, M.3    Zheng, K.4    Yartsev, A.5    Pascher, T.6    Harlang, T.7    Chabera, P.8    Pullerits, T.9    Stepanov, A.10
  • 7
    • 0037821300 scopus 로고
    • Dynamic Disorder in Methylammoniumtrihalogenoplumbates (II) Observed by Millimeterwave Spectroscopy
    • Poglitsch, A.; Weber, D. Dynamic Disorder in Methylammoniumtrihalogenoplumbates (II) Observed by Millimeterwave Spectroscopy J. Chem. Phys. 1987, 87, 6373-6378
    • (1987) J. Chem. Phys. , vol.87 , pp. 6373-6378
    • Poglitsch, A.1    Weber, D.2
  • 8
    • 70149102912 scopus 로고    scopus 로고
    • Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
    • Kojima, A.; Teshima, K.; Shirai, Y.; Miyasaka, T. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells J. Am. Chem. Soc. 2009, 131, 6050-6051
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 6050-6051
    • Kojima, A.1    Teshima, K.2    Shirai, Y.3    Miyasaka, T.4
  • 9
    • 80053595325 scopus 로고    scopus 로고
    • 6.5% Efficient Perovskite Quantum-Dot-Sensitized Solar Cell
    • Im, J.-H.; Lee, C.-R.; Lee, J.-W.; Park, S.-W.; Park, N.-G. 6.5% Efficient Perovskite Quantum-Dot-Sensitized Solar Cell Nanoscale 2011, 3, 4088-4093
    • (2011) Nanoscale , vol.3 , pp. 4088-4093
    • Im, J.-H.1    Lee, C.-R.2    Lee, J.-W.3    Park, S.-W.4    Park, N.-G.5
  • 11
    • 84868195671 scopus 로고    scopus 로고
    • Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
    • Lee, M. M.; Teuscher, J.; Miyasaka, T.; Murakami, T. N.; Snaith, H. J. Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites Science 2012, 338, 463-467
    • (2012) Science , vol.338 , pp. 463-467
    • Lee, M.M.1    Teuscher, J.2    Miyasaka, T.3    Murakami, T.N.4    Snaith, H.J.5
  • 12
    • 84880161647 scopus 로고    scopus 로고
    • High-Performance Perovskite-Polymer Hybrid Solar Cells via Electronic Coupling with Fullerene Monolayers
    • Abrusci, A.; Stranks, S. D.; Docampo, P.; Yip, H.-L.; Jen, A. K.-Y.; Snaith, H. J. High-Performance Perovskite-Polymer Hybrid Solar Cells via Electronic Coupling with Fullerene Monolayers Nano Lett. 2013, 13, 3124-3128
    • (2013) Nano Lett. , vol.13 , pp. 3124-3128
    • Abrusci, A.1    Stranks, S.D.2    Docampo, P.3    Yip, H.-L.4    Jen, A.K.-Y.5    Snaith, H.J.6
  • 15
    • 84875530136 scopus 로고    scopus 로고
    • High Open-Circuit Voltage Solar Cells Based on Organic-Inorganic Lead Bromide Perovskite
    • Edri, E.; Kirmayer, S.; Cahen, D.; Hodes, G. High Open-Circuit Voltage Solar Cells Based on Organic-Inorganic Lead Bromide Perovskite J. Phys. Chem. Lett. 2013, 4, 897-902
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 897-902
    • Edri, E.1    Kirmayer, S.2    Cahen, D.3    Hodes, G.4
  • 16
    • 84878745339 scopus 로고    scopus 로고
    • Efficient Inorganic-Organic Hybrid Heterojunction Solar Cells Containing Perovskite Compound and Polymeric Hole Conductors
    • Heo, J. H.; Im, S. H.; Noh, J. H.; Mandal, T. N.; Lim, C.-S.; Chang, J. A.; Lee, Y. H.; Kim, H.-j.; Sarkar, A.; Nazeeruddin, M. K. Efficient Inorganic-Organic Hybrid Heterojunction Solar Cells Containing Perovskite Compound and Polymeric Hole Conductors Nat. Photonics 2013, 7, 486-491
    • (2013) Nat. Photonics , vol.7 , pp. 486-491
    • Heo, J.H.1    Im, S.H.2    Noh, J.H.3    Mandal, T.N.4    Lim, C.-S.5    Chang, J.A.6    Lee, Y.H.7    Sarkar, A.8    Nazeeruddin, M.K.9
  • 17
    • 84884411335 scopus 로고    scopus 로고
    • Efficient Planar Heterojunction Perovskite Solar Cells by Vapour Deposition
    • Liu, M.; Johnston, M. B.; Snaith, H. J. Efficient Planar Heterojunction Perovskite Solar Cells by Vapour Deposition Nature 2013, 501, 395-398
    • (2013) Nature , vol.501 , pp. 395-398
    • Liu, M.1    Johnston, M.B.2    Snaith, H.J.3
  • 21
    • 84904116436 scopus 로고    scopus 로고
    • Structure and Electronic Properties of Organo-Halide Lead Perovskites: A Combined IR-Spectroscopy and Ab Initio Molecular Dynamics Investigation
    • Mosconi, E.; Quarti, C.; Ivanovska, T.; Ruani, G.; De Angelis, F. Structure and Electronic Properties of Organo-Halide Lead Perovskites: a Combined IR-Spectroscopy and Ab Initio Molecular Dynamics Investigation Phys. Chem. Chem. Phys. 2014, 16, 16137-16144
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 16137-16144
    • Mosconi, E.1    Quarti, C.2    Ivanovska, T.3    Ruani, G.4    De Angelis, F.5
  • 23
    • 0038518096 scopus 로고    scopus 로고
    • Electronic Structures of Lead Iodide Based Low-Dimensional Crystals
    • Umebayashi, T.; Asai, K.; Kondo, T.; Nakao, A. Electronic Structures of Lead Iodide Based Low-Dimensional Crystals Phys. Rev. B 2003, 2003, 155405
    • (2003) Phys. Rev. B , vol.2003 , pp. 155405
    • Umebayashi, T.1    Asai, K.2    Kondo, T.3    Nakao, A.4
  • 25
    • 84880147648 scopus 로고    scopus 로고
    • First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications
    • Mosconi, E.; Amat, A.; Nazeeruddin, M. K.; Graetzel, M.; De Angelis, F. First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications J. Phys. Chem. C 2013, 117, 13902-13913
    • (2013) J. Phys. Chem. C , vol.117 , pp. 13902-13913
    • Mosconi, E.1    Amat, A.2    Nazeeruddin, M.K.3    Graetzel, M.4    De Angelis, F.5
  • 27
    • 84892745721 scopus 로고    scopus 로고
    • Structural and Electronic Properties of Hybrid Perovskites for High-Efficiency Thin-Film Photovoltaics from First-Principles
    • Brivio, F.; Walker, A. B.; Walsh, A. Structural and Electronic Properties of Hybrid Perovskites for High-Efficiency Thin-Film Photovoltaics from First-Principles Appl. Phys. Lett. 2013, 1, 042111/1-042111/5
    • (2013) Appl. Phys. Lett. , vol.1 , pp. 042111/1-042111/5
    • Brivio, F.1    Walker, A.B.2    Walsh, A.3
  • 28
    • 84902252267 scopus 로고    scopus 로고
    • Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting
    • Amat, A.; Mosconi, E.; Ronca, E.; Quarti, C.; Umari, P.; Nazeeruddin, M. K.; Grätzel, M.; Angelis, F. D. Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting Nano Lett. 2014, 14, 3608-3616
    • (2014) Nano Lett. , vol.14 , pp. 3608-3616
    • Amat, A.1    Mosconi, E.2    Ronca, E.3    Quarti, C.4    Umari, P.5    Nazeeruddin, M.K.6    Grätzel, M.7    Angelis, F.D.8
  • 29
    • 84881184996 scopus 로고    scopus 로고
    • Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
    • Stoumpos, C. C.; Malliakas, C. D.; Kanatzidis, M. G. Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Inorg. Chem. 2013, 52, 9019-9038
    • (2013) Inorg. Chem. , vol.52 , pp. 9019-9038
    • Stoumpos, C.C.1    Malliakas, C.D.2    Kanatzidis, M.G.3
  • 32
    • 84899632023 scopus 로고    scopus 로고
    • Band gap engineering strategy via polarization rotation in perovskite ferroelectrics
    • Wang, F.; Grinberg, I.; Rappe, A. M. Band gap engineering strategy via polarization rotation in perovskite ferroelectrics Appl. Phys. Lett. 2014, 104, 152903
    • (2014) Appl. Phys. Lett. , vol.104 , pp. 152903
    • Wang, F.1    Grinberg, I.2    Rappe, A.M.3
  • 35
    • 84879520401 scopus 로고    scopus 로고
    • Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
    • Baikie, T.; Fang, Y.; Kadro, J. M.; Schreyer, M.; Wei, F.; Mhaisalkar, S. G.; Graetzel, M.; Whitec, T. J. Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications J. Mater. Chem. A 2013, 1, 5628-5641
    • (2013) J. Mater. Chem. A , vol.1 , pp. 5628-5641
    • Baikie, T.1    Fang, Y.2    Kadro, J.M.3    Schreyer, M.4    Wei, F.5    Mhaisalkar, S.G.6    Graetzel, M.7    Whitec, T.J.8
  • 38
    • 0000154293 scopus 로고
    • The Classification of Tilted Octahedra in Perovskite
    • Glazer, A. M. The Classification of Tilted Octahedra in Perovskite Acta Crystallogr. 1972, B28, 3384-3391
    • (1972) Acta Crystallogr. , vol.28 , pp. 3384-3391
    • Glazer, A.M.1
  • 39
    • 84899727290 scopus 로고    scopus 로고
    • Relativistic Quasiparticle Self-Consistent Electronic Structure of Hybrid Halide Perovskite Photovoltaic Absorbers
    • Brivio, F.; Butler, K. T.; Walsh, A.; van Schilfgaarde, M. Relativistic Quasiparticle Self-Consistent Electronic Structure of Hybrid Halide Perovskite Photovoltaic Absorbers Phys. Rev. B 2014, 89, 155204/1-155204/6
    • (2014) Phys. Rev. B , vol.89 , pp. 155204/1-155204/6
    • Brivio, F.1    Butler, K.T.2    Walsh, A.3    Van Schilfgaarde, M.4
  • 41
    • 84890921367 scopus 로고    scopus 로고
    • Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis
    • Giorgi, G.; Fujisawa, J.-I.; Segawa, H.; Yamashita, K. Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: a Density Functional Analysis J. Phys. Chem. Lett. 2013, 4, 4213-4216
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 4213-4216
    • Giorgi, G.1    Fujisawa, J.-I.2    Segawa, H.3    Yamashita, K.4
  • 42
    • 84902477508 scopus 로고    scopus 로고
    • Cation Role in Structural and Electronic Properties of 3D Organic-Inorganic Halide Perovskites: A DFT Analysis
    • Giorgi, G.; Fujisawa, J.-I.; Segawa, H.; Yamashita, K. Cation Role in Structural and Electronic Properties of 3D Organic-Inorganic Halide Perovskites: A DFT Analysis J. Phys. Chem. C 2014, 118, 12176-12186
    • (2014) J. Phys. Chem. C , vol.118 , pp. 12176-12186
    • Giorgi, G.1    Fujisawa, J.-I.2    Segawa, H.3    Yamashita, K.4
  • 43
    • 84883806970 scopus 로고    scopus 로고
    • Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications
    • Even, J.; Pedesseau, L.; Jancu, J.-M.; Katan, C. Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications J. Phys. Chem. Lett. 2013, 4, 2999-3005
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 2999-3005
    • Even, J.1    Pedesseau, L.2    Jancu, J.-M.3    Katan, C.4
  • 44
    • 84900500424 scopus 로고    scopus 로고
    • Switchable S = 1/2 and J = 1/2 Rashba Bands in Ferroelectric Halide Perovskites
    • Kim, M.; Im, J.; Freeman, A. J.; Ihm, J.; Jin, H. Switchable S = 1/2 and J = 1/2 Rashba Bands in Ferroelectric Halide Perovskites Proc. Natl. Acad. Sci. U.S.A. 2014, 111, 6900-6904
    • (2014) Proc. Natl. Acad. Sci. U.S.A. , vol.111 , pp. 6900-6904
    • Kim, M.1    Im, J.2    Freeman, A.J.3    Ihm, J.4    Jin, H.5
  • 45
    • 40549094040 scopus 로고    scopus 로고
    • Study of Local Structure in Selected Organic-Inorganic Perovskites in the Pm3m Phase
    • Worhatch, R. J.; Kim, H.; Swainson, I. P.; Yonkeu, A. L.; Billinge, S. J. L. Study of Local Structure in Selected Organic-Inorganic Perovskites in the Pm3m Phase Chem. Mater. 2008, 20, 1272-1277
    • (2008) Chem. Mater. , vol.20 , pp. 1272-1277
    • Worhatch, R.J.1    Kim, H.2    Swainson, I.P.3    Yonkeu, A.L.4    Billinge, S.J.L.5
  • 47
    • 84898762921 scopus 로고    scopus 로고
    • Hybrid Perovskites for Photovoltaics: Insight from First Principles
    • Filippetti, A.; Mattoni, A. Hybrid Perovskites for Photovoltaics: Insight from First Principles Phys. Rev. B 2014, 89, 125203/1-8
    • (2014) Phys. Rev. B , vol.89 , pp. 125203/1-8
    • Filippetti, A.1    Mattoni, A.2
  • 49
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. B 1996, 77, 3865-3868
    • (1996) Phys. Rev. B , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 50
    • 20544463457 scopus 로고
    • Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism
    • Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
    • (1990) Phys. Rev. B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 51
    • 4143083217 scopus 로고
    • Ab Initio Molecular Synamics for d-electron Systems: Liquid Copper at 1500 K
    • Pasquarello, A.; Laasonen, K.; Car, R.; Lee, C.; Vanderbilt, D. Ab Initio Molecular Synamics for d-electron Systems: Liquid Copper at 1500 K Phys. Rev. Lett. 1992, 69, 1982-1985
    • (1992) Phys. Rev. Lett. , vol.69 , pp. 1982-1985
    • Pasquarello, A.1    Laasonen, K.2    Car, R.3    Lee, C.4    Vanderbilt, D.5
  • 54
    • 84906855700 scopus 로고    scopus 로고
    • First-Principle Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phase for Photovoltaics
    • Geng, W.; Zhang, L.; Zhang, Y.-N.; Lau, W.-M.; Liu, L.-M. First-Principle Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phase for Photovoltaics J. Phys. Chem. C 2014, 118, 19565-19571
    • (2014) J. Phys. Chem. C , vol.118 , pp. 19565-19571
    • Geng, W.1    Zhang, L.2    Zhang, Y.-N.3    Lau, W.-M.4    Liu, L.-M.5
  • 55
    • 84905728435 scopus 로고    scopus 로고
    • Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insight from First-Principle Calculations
    • Egger, D. A.; Kronik, L. Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insight from First-Principle Calculations J. Phys. Chem. Lett. 2014, 5, 2728-2733
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2728-2733
    • Egger, D.A.1    Kronik, L.2
  • 56
    • 84890808629 scopus 로고    scopus 로고
    • Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3
    • Wang, Y.; Gould, T.; Dobson, J. F.; Zhang, H.; Yang, H.; Yao, X.; Zhao, H. Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3 Phys. Chem. Chem. Phys. 2014, 16, 1424-1429
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 1424-1429
    • Wang, Y.1    Gould, T.2    Dobson, J.F.3    Zhang, H.4    Yang, H.5    Yao, X.6    Zhao, H.7
  • 58
    • 0000578031 scopus 로고
    • Potential energy surface for dispersion interaction in water dimer and hydrogen fluoride dimer
    • SzczȩsÌniak, M. M.; Brenstein, R. J.; Cybulski, S. M.; Scheiner, S. Potential energy surface for dispersion interaction in water dimer and hydrogen fluoride dimer J. Phys. Chem. 1990, 94, 1781-1788
    • (1990) J. Phys. Chem. , vol.94 , pp. 1781-1788
    • Szczeììniak, M.M.1    Brenstein, R.J.2    Cybulski, S.M.3    Scheiner, S.4
  • 59
    • 84885988874 scopus 로고    scopus 로고
    • Deplected Hole Conductor-Free Lead Halide Iodide Heterojunction Solar Cells
    • Laban, W. A.; Etgar, L. Deplected Hole Conductor-Free Lead Halide Iodide Heterojunction Solar Cells Energy Environ. Sci. 2013, 6, 3249-3253
    • (2013) Energy Environ. Sci. , vol.6 , pp. 3249-3253
    • Laban, W.A.1    Etgar, L.2
  • 60
    • 84906484752 scopus 로고    scopus 로고
    • Self-Alignment of the Methylammonium Cations in Thin-Film Organometal Perovskites
    • McLeod, J. A.; Wu, Z.; Shen, P.; Sun, B.; Liu, L. Self-Alignment of the Methylammonium Cations in Thin-Film Organometal Perovskites J. Phys. Chem. Lett. 2014, 5, 2863-2867
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2863-2867
    • McLeod, J.A.1    Wu, Z.2    Shen, P.3    Sun, B.4    Liu, L.5
  • 61
    • 84892170004 scopus 로고    scopus 로고
    • Structure of Methylammonium Lead Iodide Within Mesoporous Titanium Dioxide: Active Material in High-Performance Perovskite Solar Cells
    • Choi, J. J.; Yang, X.; Norman, Z. M.; Billinge, S. J. L.; Owen, J. S. Structure of Methylammonium Lead Iodide Within Mesoporous Titanium Dioxide: Active Material in High-Performance Perovskite Solar Cells Nano Lett. 2013, 14, 127-133
    • (2013) Nano Lett. , vol.14 , pp. 127-133
    • Choi, J.J.1    Yang, X.2    Norman, Z.M.3    Billinge, S.J.L.4    Owen, J.S.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.