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Volumn 117, Issue 48, 2013, Pages 25497-25503

Transport properties in the CeO2- x(111) surface: From charge distribution to ion-electron collaborative migration

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ELECTRON MIGRATION; ELECTRON TRANSFER; NEAREST-NEIGHBORS; OXYGEN DIFFUSION; POLARON HOPPING; SUBSURFACE OXYGEN; VACANCY MIGRATION;

EID: 84890337809     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4066532     Document Type: Article
Times cited : (49)

References (53)
  • 5
    • 77952302722 scopus 로고    scopus 로고
    • Ceria in catalysis: From automotive applications to the water-gas shift reaction
    • Gorte, R. J. Ceria in catalysis: From automotive applications to the water-gas shift reaction AIChE J. 2010, 56, 1126-1135
    • (2010) AIChE J. , vol.56 , pp. 1126-1135
    • Gorte, R.J.1
  • 6
    • 0001306735 scopus 로고
    • Influence of Ceria on Alumina-Supported Rhodium - Observations of Rhodium Morphology Made Using FTIR Spectroscopy
    • Dictor, R.; Roberts, S. Influence of Ceria on Alumina-Supported Rhodium-Observations of Rhodium Morphology Made Using FTIR Spectroscopy J. Phys. Chem. 1989, 93, 5846-5850
    • (1989) J. Phys. Chem. , vol.93 , pp. 5846-5850
    • Dictor, R.1    Roberts, S.2
  • 7
    • 0001493813 scopus 로고
    • Dynamic Behavior of Three-Way Catalysts
    • Su, E. C.; Rothschild, W. G. Dynamic Behavior of Three-Way Catalysts J. Catal. 1986, 99, 506-510
    • (1986) J. Catal. , vol.99 , pp. 506-510
    • Su, E.C.1    Rothschild, W.G.2
  • 8
    • 1542788765 scopus 로고
    • Ceria in Automotive Exhaust Catalysts. 1. Oxygen Storage
    • Yao, H. C.; Yu Yao, Y. F. Ceria in Automotive Exhaust Catalysts. 1. Oxygen Storage J. Catal. 1984, 86, 254-265
    • (1984) J. Catal. , vol.86 , pp. 254-265
    • Yao, H.C.1    Yu Yao, Y.F.2
  • 9
    • 0024636949 scopus 로고
    • Automotive Exhaust-Gas Catalysts-Surface-Structure and Activity
    • Engler, B.; Koberstein, E.; Schubert, P. Automotive Exhaust-Gas Catalysts-Surface-Structure and Activity Appl. Catal. 1989, 48, 71-92
    • (1989) Appl. Catal. , vol.48 , pp. 71-92
    • Engler, B.1    Koberstein, E.2    Schubert, P.3
  • 11
    • 0029732354 scopus 로고    scopus 로고
    • Ceria-Based Solid Electrolytes
    • Inaba, H.; Tagawa, H. Ceria-Based Solid Electrolytes Solid State Ionics 1996, 83, 1-16
    • (1996) Solid State Ionics , vol.83 , pp. 1-16
    • Inaba, H.1    Tagawa, H.2
  • 12
    • 81555205658 scopus 로고    scopus 로고
    • Lowering the Temperature of Solid Oxide Fuel Cells
    • Wachsman, E. D.; Lee, K. T. Lowering the Temperature of Solid Oxide Fuel Cells Science 2011, 334, 935-939
    • (2011) Science , vol.334 , pp. 935-939
    • Wachsman, E.D.1    Lee, K.T.2
  • 13
    • 80054889510 scopus 로고    scopus 로고
    • Charge Distribution and Transport Properties in Reduced Ceria Phases: A Review
    • Shoko, E.; Smith, M. F.; McKenzie, R. H. Charge Distribution and Transport Properties in Reduced Ceria Phases: A Review J. Phys. Chem. Solids 2011, 72, 1482-1494
    • (2011) J. Phys. Chem. Solids , vol.72 , pp. 1482-1494
    • Shoko, E.1    Smith, M.F.2    McKenzie, R.H.3
  • 15
    • 12344293022 scopus 로고
    • Studies of Polaron Motion Part II: The "small" Polaron
    • Holstein, T. Studies of Polaron Motion Part II: The "Small" Polaron Ann. Phys. (N.Y.) 1959, 8, 343-389
    • (1959) Ann. Phys. (N.Y.) , vol.8 , pp. 343-389
    • Holstein, T.1
  • 16
    • 33845664765 scopus 로고
    • Studies of Polaron Motion. 3. The Hall Mobility of the Small Polaron
    • Friedman, L.; Holstein, T. Studies of Polaron Motion. 3. The Hall Mobility of the Small Polaron Ann. Phys. (N.Y.) 1963, 21, 494-549
    • (1963) Ann. Phys. (N.Y.) , vol.21 , pp. 494-549
    • Friedman, L.1    Holstein, T.2
  • 17
    • 0017921919 scopus 로고
    • Small-Polaron Mobility in Nonstoichiometric Cerium Dioxide
    • Naik, I. K.; Tien, T. Y. Small-Polaron Mobility in Nonstoichiometric Cerium Dioxide J. Phys. Chem. Solids 1978, 39, 311-315
    • (1978) J. Phys. Chem. Solids , vol.39 , pp. 311-315
    • Naik, I.K.1    Tien, T.Y.2
  • 18
    • 0001880282 scopus 로고
    • Direct Determination of the Effective Electronic Coupling in Electron-Transfer Problems
    • Sanz, J. F.; Malrieu, J. P. Direct Determination of the Effective Electronic Coupling in Electron-Transfer Problems J. Phys. Chem. 1993, 97, 99-106
    • (1993) J. Phys. Chem. , vol.97 , pp. 99-106
    • Sanz, J.F.1    Malrieu, J.P.2
  • 19
    • 84880528448 scopus 로고    scopus 로고
    • Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study
    • Plata, J. J.; Marquez, A.; Sanz, J. F. Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study J. Phys. Chem. C 2013, 117, 14502-14509
    • (2013) J. Phys. Chem. C , vol.117 , pp. 14502-14509
    • Plata, J.J.1    Marquez, A.2    Sanz, J.F.3
  • 20
    • 0034673637 scopus 로고    scopus 로고
    • Direct Oxidation of Hydrocarbons in a Solid-Oxide Fuel Cell
    • Park, S.; Vohs, J. M.; Gorte, R. J. Direct Oxidation of Hydrocarbons in a Solid-Oxide Fuel Cell Nature 2000, 404, 265-266
    • (2000) Nature , vol.404 , pp. 265-266
    • Park, S.1    Vohs, J.M.2    Gorte, R.J.3
  • 22
    • 77949388438 scopus 로고    scopus 로고
    • Oxygen Vacancy Migration in Ceria and Pr-doped Ceria: A DFT+U study
    • Dholabhai, P. P.; Adams, J. B.; Crozier, P.; Sharma, R. Oxygen Vacancy Migration in Ceria and Pr-doped Ceria: A DFT+U study J. Chem. Phys. 2010, 132, 094104
    • (2010) J. Chem. Phys. , vol.132 , pp. 094104
    • Dholabhai, P.P.1    Adams, J.B.2    Crozier, P.3    Sharma, R.4
  • 24
    • 48349116079 scopus 로고    scopus 로고
    • Onsager Coefficients of Mixed Ionic Electronic Conduction in Oxides
    • Yoo, H.; Lee, D. Onsager Coefficients of Mixed Ionic Electronic Conduction in Oxides Solid State Ionics 2008, 179, 837-841
    • (2008) Solid State Ionics , vol.179 , pp. 837-841
    • Yoo, H.1    Lee, D.2
  • 25
    • 63449093687 scopus 로고    scopus 로고
    • Conductivity Relaxation Patterns of Mixed Conductor Oxides under a Chemical Potential Gradient
    • Yoo, H.; Lee, C. Conductivity Relaxation Patterns of Mixed Conductor Oxides under a Chemical Potential Gradient Solid State Ionics 2009, 180, 326-337
    • (2009) Solid State Ionics , vol.180 , pp. 326-337
    • Yoo, H.1    Lee, C.2
  • 29
    • 84859763695 scopus 로고    scopus 로고
    • A Concerted Migration Mechanism of Mixed Oxide Ion and Electron Conduction in Reduced Ceria Studied by First-Principles Density Functional Theory
    • Nakayama, M.; Ohshima, H.; Nogami, M.; Martin, M. A Concerted Migration Mechanism of Mixed Oxide Ion and Electron Conduction in Reduced Ceria Studied by First-Principles Density Functional Theory Phys. Chem. Chem. Phys. 2012, 14, 6079-6084
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 6079-6084
    • Nakayama, M.1    Ohshima, H.2    Nogami, M.3    Martin, M.4
  • 37
    • 12844286241 scopus 로고
    • Ab initio Molecular Dynamics for Liquid Metals
    • Kresse, G.; Hafner, J. Ab initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 38
    • 35949007146 scopus 로고
    • Ab initio Molecular Dynamics for Open-Shell Transition Metals
    • Kresse, G.; Hafner, J. Ab initio Molecular Dynamics for Open-Shell Transition Metals Phys. Rev. B 1993, 48, 13115-13118
    • (1993) Phys. Rev. B , vol.48 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 39
    • 27744460065 scopus 로고
    • Ab initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous- Semiconductor Transition in Germanium
    • Kresse, G.; Hafner, J. Ab initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49, 14251-14269
    • (1994) Phys. Rev. B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 40
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blochl, P.E.1
  • 41
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 42
    • 23244460838 scopus 로고
    • Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation
    • Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 43
    • 0001622167 scopus 로고
    • Erratum: Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation
    • Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Erratum: Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1993, 48, 4978-4978
    • (1993) Phys. Rev. B , vol.48 , pp. 4978-4978
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 44
    • 0001486791 scopus 로고    scopus 로고
    • Electron-energy-loss Spectra and the Structural Stability of Nickel Oxide: An LSDA+U Study
    • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.; Humphreys, C. J.; Sutton, A. P. Electron-energy-loss Spectra and the Structural Stability of Nickel Oxide: An LSDA+U Study Phys. Rev. B 1998, 57, 1505-1509
    • (1998) Phys. Rev. B , vol.57 , pp. 1505-1509
    • Dudarev, S.L.1    Botton, G.A.2    Savrasov, S.Y.3    Humphreys, C.J.4    Sutton, A.P.5
  • 46
    • 0000780089 scopus 로고
    • Simplified Method for Calculating the Energy of Weakly Interacting Fragments
    • Harris, J. Simplified Method for Calculating the Energy of Weakly Interacting Fragments Phys. Rev. B 1985, 31, 1770-1779
    • (1985) Phys. Rev. B , vol.31 , pp. 1770-1779
    • Harris, J.1
  • 47
    • 41949085799 scopus 로고    scopus 로고
    • Optimization Methods for Finding Minimum Energy Paths
    • Sheppard, D.; Terrell, R.; Henkelman, G. Optimization Methods for Finding Minimum Energy Paths J. Chem. Phys. 2008, 128, 134106
    • (2008) J. Chem. Phys. , vol.128 , pp. 134106
    • Sheppard, D.1    Terrell, R.2    Henkelman, G.3
  • 48
    • 34347325166 scopus 로고    scopus 로고
    • 2: A Density Functional Theory Characterization
    • 2: A Density Functional Theory Characterization Phys. Rev. B 2007, 75, 195212
    • (2007) Phys. Rev. B , vol.75 , pp. 195212
    • Deskins, N.A.1    Dupuis, M.2
  • 52
    • 67651158793 scopus 로고    scopus 로고
    • Modulation of Mixed Conductivity in Nanocrystalline Electrolytes by Heterogeneous Doping
    • Litzelman, S. J.; Tuller, H. L. Modulation of Mixed Conductivity in Nanocrystalline Electrolytes by Heterogeneous Doping Solid State Ionics 2009, 180, 1190-1197
    • (2009) Solid State Ionics , vol.180 , pp. 1190-1197
    • Litzelman, S.J.1    Tuller, H.L.2
  • 53
    • 15544368883 scopus 로고    scopus 로고
    • Interface Defect Chemistry and Effective Conductivity in Polycrystalline Cerium Oxide
    • Tschope, A. Interface Defect Chemistry and Effective Conductivity in Polycrystalline Cerium Oxide J. Electroceram. 2005, 14, 5-23
    • (2005) J. Electroceram. , vol.14 , pp. 5-23
    • Tschope, A.1


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