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Volumn 119, Issue 11, 2015, Pages 5755-5760

Principles of chemical bonding and band gap engineering in hybrid organic-inorganic halide perovskites

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; ELECTRONIC STRUCTURE; ENERGY GAP; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PEROVSKITE; THIN FILM SOLAR CELLS;

EID: 84925250246     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp512420b     Document Type: Article
Times cited : (325)

References (52)
  • 1
    • 0542363665 scopus 로고
    • The Crystal Structures of Monomethyl Ammonium Chlorostannate and Chloroplatinate
    • Wyckoff, R. W. G. The Crystal Structures of Monomethyl Ammonium Chlorostannate and Chloroplatinate Am. J. Sci. 1928, s5-16, 349-359
    • (1928) Am. J. Sci. , vol.516 , pp. 349-359
    • Wyckoff, R.W.G.1
  • 2
    • 84938863827 scopus 로고
    • 3-x (x=0-3), a Sn(II)-System with the Cubic Perovskite Structure
    • 3-x (x=0-3), a Sn(II)-System with the Cubic Perovskite Structure Z. Naturforsch. 1978, 33b, 862-865
    • (1978) Z. Naturforsch. , vol.33 , pp. 862-865
    • Weber, D.1
  • 3
    • 84938887273 scopus 로고
    • 3, a Pb(II)-System with Cubic Perovskite Structure
    • 3, a Pb(II)-System with Cubic Perovskite Structure Z. Naturforsch. 1978, 33b, 1443-1445
    • (1978) Z. Naturforsch. , vol.33 , pp. 1443-1445
    • Weber, D.1
  • 4
    • 0037821300 scopus 로고
    • Dynamic Disorder in Methylammoniumtrihalogenoplumbates (II) Observed by Millimeter-wave Spectroscopy
    • Poglitsch, A.; Weber, D. Dynamic Disorder in Methylammoniumtrihalogenoplumbates (II) Observed by Millimeter-wave Spectroscopy J. Chem. Phys. 1987, 87, 6373-6378
    • (1987) J. Chem. Phys. , vol.87 , pp. 6373-6378
    • Poglitsch, A.1    Weber, D.2
  • 5
    • 0025540691 scopus 로고
    • Calorimetric and IR Spectroscopic Studies of Phase Transitions in Methylammonium Trihalogenoplumbates
    • Onoda-Yamamuro, N.; Matsuo, T.; Suga, H. Calorimetric and IR Spectroscopic Studies of Phase Transitions in Methylammonium Trihalogenoplumbates J. Phys. Chem. Solids 1990, 51, 1383-1395
    • (1990) J. Phys. Chem. Solids , vol.51 , pp. 1383-1395
    • Onoda-Yamamuro, N.1    Matsuo, T.2    Suga, H.3
  • 7
    • 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
  • 8
    • 84881290270 scopus 로고    scopus 로고
    • The Swift Surge of Perovskite Photovoltaics
    • Bisquert, J. The Swift Surge of Perovskite Photovoltaics J. Phys. Chem. Lett. 2013, 4, 2597-2598
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 2597-2598
    • Bisquert, J.1
  • 9
    • 84884418691 scopus 로고    scopus 로고
    • Fast-Track Solar Cells
    • McGehee, M. D. Fast-Track Solar Cells Nature 2013, 501, 323-325
    • (2013) Nature , vol.501 , pp. 323-325
    • McGehee, M.D.1
  • 10
    • 84887735046 scopus 로고    scopus 로고
    • Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells
    • Snaith, H. J. Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells J. Phys. Chem. Lett. 2013, 4, 3623-3630
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 3623-3630
    • Snaith, H.J.1
  • 11
    • 84897879784 scopus 로고    scopus 로고
    • Organolead Halide Perovskite: New Horizons in Solar Cell Research
    • Kim, H.-S.; Im, S. H.; Park, N.-G. Organolead Halide Perovskite: New Horizons in Solar Cell Research J. Phys. Chem. C 2014, 118, 5615-5625
    • (2014) J. Phys. Chem. C , vol.118 , pp. 5615-5625
    • Kim, H.-S.1    Im, S.H.2    Park, N.-G.3
  • 12
    • 84920573615 scopus 로고    scopus 로고
    • Perovskite Solar Cells: From Materials to Devices
    • Jung, H. S.; Park, N.-G. Perovskite Solar Cells: From Materials to Devices Small 2015, 11, 10-25
    • (2015) Small , vol.11 , pp. 10-25
    • Jung, H.S.1    Park, N.-G.2
  • 13
    • 84924368461 scopus 로고    scopus 로고
    • Ferroelectric Materials for Solar Energy Conversion: Photoferroics Revisited
    • Butler, K. T.; Frost, J. M.; Walsh, A. Ferroelectric Materials for Solar Energy Conversion: Photoferroics Revisited Energy Environ. Sci. 2015, 10.1039/C4EE03523B
    • (2015) Energy Environ. Sci.
    • Butler, K.T.1    Frost, J.M.2    Walsh, A.3
  • 14
    • 84923369410 scopus 로고    scopus 로고
    • Perovskite Solar Cells: Do We Know What We Do Not Know?
    • Egger, D. A.; Edri, E.; Cahen, D.; Hodes, G. Perovskite Solar Cells: Do We Know What We Do Not Know? J. Phys. Chem. Lett. 2015, 6, 279-282
    • (2015) J. Phys. Chem. Lett. , vol.6 , pp. 279-282
    • Egger, D.A.1    Edri, E.2    Cahen, D.3    Hodes, G.4
  • 15
    • 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 APL Mater. 2013, 1, 042111
    • (2013) APL Mater. , vol.1 , pp. 042111
    • Brivio, F.1    Walker, A.B.2    Walsh, A.3
  • 16
    • 84905972936 scopus 로고    scopus 로고
    • Molecular Ferroelectric Contributions to Anomalous Hysteresis in Hybrid Perovskite Solar Cells
    • Frost, J. M.; Butler, K. T.; Walsh, A. Molecular Ferroelectric Contributions to Anomalous Hysteresis in Hybrid Perovskite Solar Cells APL Mater. 2014, 2, 081506
    • (2014) APL Mater. , vol.2 , pp. 081506
    • Frost, J.M.1    Butler, K.T.2    Walsh, A.3
  • 19
    • 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
    • (2014) Phys. Rev. B , vol.89 , pp. 155204
    • Brivio, F.1    Butler, K.T.2    Walsh, A.3    Van Schilfgaarde, M.4
  • 21
    • 85028163873 scopus 로고    scopus 로고
    • Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites
    • Walsh, A.; Scanlon, D. O.; Chen, S.; Gong, X. G.; Wei, S.-H. Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites Angew. Chem., Int. Ed 2015, 54, 1791-1794
    • (2015) Angew. Chem., Int. Ed , vol.54 , pp. 1791-1794
    • Walsh, A.1    Scanlon, D.O.2    Chen, S.3    Gong, X.G.4    Wei, S.-H.5
  • 22
    • 84924120572 scopus 로고    scopus 로고
    • Halide Perovskite Materials for Solar Cells: A Theoretical Review
    • Yin, W.; Yang, J.; Kang, J.; Yan, Y.; Wei, S.-H. Halide Perovskite Materials for Solar Cells: A Theoretical Review J. Mater. Chem. A 2015, 10.1039/C4TA05033A
    • (2015) J. Mater. Chem. A
    • Yin, W.1    Yang, J.2    Kang, J.3    Yan, Y.4    Wei, S.-H.5
  • 23
    • 84928487536 scopus 로고    scopus 로고
    • Organic-Inorganic Halide Perovskites: An Ambipolar Class of Materials with Enhanced Photovoltaic Performances
    • Giorgi, G.; Yamashita, K. Organic-Inorganic Halide Perovskites: An Ambipolar Class of Materials with Enhanced Photovoltaic Performances J. Mater. Chem. A 2015, 10.1039/C4TA05046K
    • (2015) J. Mater. Chem. A
    • Giorgi, G.1    Yamashita, K.2
  • 24
    • 84911092219 scopus 로고    scopus 로고
    • Modeling Materials and Processes in Hybrid/Organic Photovoltaics: From Dye-Sensitized to Perovskite Solar Cells
    • De Angelis, F. Modeling Materials and Processes in Hybrid/Organic Photovoltaics: From Dye-Sensitized to Perovskite Solar Cells Acc. Chem. Res. 2014, 47, 3349-3360
    • (2014) Acc. Chem. Res. , vol.47 , pp. 3349-3360
    • De Angelis, F.1
  • 25
    • 84902270025 scopus 로고    scopus 로고
    • Theoretical Insights into Multibandgap Hybrid Perovskites for Photovoltaic Applications
    • Even, J.; Pedesseau, L.; Katan, C. Theoretical Insights into Multibandgap Hybrid Perovskites for Photovoltaic Applications SPIE Photonics Eur. 2014, 9140, 91400Y
    • (2014) SPIE Photonics Eur. , vol.9140 , pp. 91400Y
    • Even, J.1    Pedesseau, L.2    Katan, C.3
  • 26
    • 79952382871 scopus 로고    scopus 로고
    • Microscopic Origins of Electron and Hole Stability in ZnO
    • Catlow, C. R. A.; Sokol, A. A.; Walsh, A. Microscopic Origins of Electron and Hole Stability in ZnO Chem. Commun. 2011, 47, 3386-3388
    • (2011) Chem. Commun. , vol.47 , pp. 3386-3388
    • Catlow, C.R.A.1    Sokol, A.A.2    Walsh, A.3
  • 28
    • 0000759566 scopus 로고
    • Conducting Layered Organic-inorganic Halides Containing 110-Oriented Perovskite Sheets
    • Mitzi, D. B.; Wang, S.; Feild, C. A.; Chess, C. A.; Guloy, A. M. Conducting Layered Organic-inorganic Halides Containing 110-Oriented Perovskite Sheets Science 1995, 267, 1473-1476
    • (1995) Science , vol.267 , pp. 1473-1476
    • Mitzi, D.B.1    Wang, S.2    Feild, C.A.3    Chess, C.A.4    Guloy, A.M.5
  • 29
    • 39049172361 scopus 로고    scopus 로고
    • Hybrid Inorganicorganic Materials: A New Family in Condensed Matter Physics
    • Rao, C. N. R.; Cheetham, A. K.; Thirumurugan, A. Hybrid Inorganicorganic Materials: a New Family in Condensed Matter Physics J. Phys.: Condens. Matter 2008, 20, 083202
    • (2008) J. Phys.: Condens. Matter , vol.20 , pp. 083202
    • Rao, C.N.R.1    Cheetham, A.K.2    Thirumurugan, A.3
  • 31
    • 57749097119 scopus 로고    scopus 로고
    • A Piece of the Picture-Misunderstanding of Chemical Concepts
    • Jansen, M.; Wedig, U. A Piece of the Picture-Misunderstanding of Chemical Concepts Angew. Chem., Int. Ed. 2008, 47, 10026-10029
    • (2008) Angew. Chem., Int. Ed. , vol.47 , pp. 10026-10029
    • Jansen, M.1    Wedig, U.2
  • 34
    • 84894262815 scopus 로고    scopus 로고
    • Prediction of Electron Energies in Metal Oxides
    • Walsh, A.; Butler, K. T. Prediction of Electron Energies in Metal Oxides Acc. Chem. Res. 2014, 47, 364-72
    • (2014) Acc. Chem. Res. , vol.47 , pp. 364-372
    • Walsh, A.1    Butler, K.T.2
  • 35
    • 80053554609 scopus 로고    scopus 로고
    • Stereochemistry of Post-transition Metal Oxides: Revision of the Classical Lone Pair Model
    • Walsh, A.; Payne, D. J.; Egdell, R. G.; Watson, G. W. Stereochemistry of Post-transition Metal Oxides: Revision of the Classical Lone Pair Model Chem. Soc. Rev. 2011, 40, 4455-4463
    • (2011) Chem. Soc. Rev. , vol.40 , pp. 4455-4463
    • Walsh, A.1    Payne, D.J.2    Egdell, R.G.3    Watson, G.W.4
  • 36
    • 33846006566 scopus 로고    scopus 로고
    • Multiferroics: Progress and Prospects in Thin Films
    • Ramesh, R.; Spaldin, N. A. Multiferroics: Progress and Prospects in Thin Films Nat. Mater. 2007, 6, 21-9
    • (2007) Nat. Mater. , vol.6 , pp. 21-29
    • Ramesh, R.1    Spaldin, N.A.2
  • 39
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.1    Burke, K.2    Ernzerhof, M.3
  • 41
    • 3242884626 scopus 로고    scopus 로고
    • Efficient Hybrid Density Functional Calculations in Solids: Assessment of the Heyd Scuseria Ernzerhof Screened Coulomb Hybrid Functional
    • Heyd, J.; Scuseria, G. Efficient Hybrid Density Functional Calculations in Solids: Assessment of the Heyd Scuseria Ernzerhof Screened Coulomb Hybrid Functional J. Chem. Phys. 2004, 121, 1187
    • (2004) J. Chem. Phys. , vol.121 , pp. 1187
    • Heyd, J.1    Scuseria, G.2
  • 42
    • 84901425025 scopus 로고    scopus 로고
    • Thermal Physics of the Lead Chalcogenides PbS, PbSe, and PbTe from First Principles
    • Skelton, J. M.; Parker, S. C.; Togo, A.; Tanaka, I.; Walsh, A. Thermal Physics of the Lead Chalcogenides PbS, PbSe, and PbTe from First Principles Phys. Rev. B 2014, 89, 205203
    • (2014) Phys. Rev. B , vol.89 , pp. 205203
    • Skelton, J.M.1    Parker, S.C.2    Togo, A.3    Tanaka, I.4    Walsh, A.5
  • 43
    • 36149012552 scopus 로고
    • Deformation Potentials and Mobilities in Non-Polar Crystals
    • Bardeen, J.; Shockley, W. Deformation Potentials and Mobilities in Non-Polar Crystals Phys. Rev. 1950, 549, 72
    • (1950) Phys. Rev. , vol.549 , pp. 72
    • Bardeen, J.1    Shockley, W.2
  • 46
    • 85027956607 scopus 로고    scopus 로고
    • 3: A New Precursor Compound for Highly Efficient Solution-Processed Perovskite Solar Cells
    • 3: A New Precursor Compound for Highly Efficient Solution-Processed Perovskite Solar Cells Adv. Funct. Mater. 2015, 10.1002/adfm.201404007
    • (2015) Adv. Funct. Mater.
    • Wang, F.1    Yu, H.2    Xu, H.3    Zhao, N.4
  • 47
    • 84908412561 scopus 로고    scopus 로고
    • Solid-State Principles Applied to Organic-Inorganic Perovskites: New Tricks for an Old Dog
    • Kieslich, G.; Sun, S.; Cheetham, T. Solid-State Principles Applied to Organic-Inorganic Perovskites: New Tricks for an Old Dog Chem. Sci. 2014, 5, 4712-4715
    • (2014) Chem. Sci. , vol.5 , pp. 4712-4715
    • Kieslich, G.1    Sun, S.2    Cheetham, T.3
  • 48
    • 84923350347 scopus 로고    scopus 로고
    • Steric Engineering of Metal-halide Perovskites with Tunable Optical Band Gaps
    • Filip, M. R.; Eperon, G. E.; Snaith, H. J.; Giustino, F. Steric Engineering of Metal-halide Perovskites with Tunable Optical Band Gaps Nat. Commun. 2014, 5, 5757
    • (2014) Nat. Commun. , vol.5 , pp. 5757
    • Filip, M.R.1    Eperon, G.E.2    Snaith, H.J.3    Giustino, F.4
  • 50
    • 27144490017 scopus 로고    scopus 로고
    • Influence of the Anion on Lone Pair Formation in Sn(II) Monochalcogenides: A DFT Study
    • Walsh, A.; Watson, G. W. Influence of the Anion on Lone Pair Formation in Sn(II) Monochalcogenides: A DFT Study J. Phys. Chem. B 2005, 109, 18868-18875
    • (2005) J. Phys. Chem. B , vol.109 , pp. 18868-18875
    • Walsh, A.1    Watson, G.W.2
  • 51
    • 84897603021 scopus 로고    scopus 로고
    • Formamidinium Lead Trihalide: A Broadly Tunable Perovskite for Efficient Planar Heterojunction Solar Cells
    • Eperon, G. E.; Stranks, S. D.; Menelaou, C.; Johnston, M. B.; Herz, L. M.; Snaith, H. J. Formamidinium Lead Trihalide: A Broadly Tunable Perovskite for Efficient Planar Heterojunction Solar Cells Energy Environ. Sci. 2014, 7, 982-988
    • (2014) Energy Environ. Sci. , vol.7 , pp. 982-988
    • Eperon, G.E.1    Stranks, S.D.2    Menelaou, C.3    Johnston, M.B.4    Herz, L.M.5    Snaith, H.J.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.