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Volumn 3, Issue 15, 2012, Pages 2076-2081

Kinetic Monte Carlo study of ambipolar lithium ion and electron-polaron diffusion into nanostructured TiO 2

Author keywords

[No Author keywords available]

Indexed keywords

AMBIPOLAR; COLLECTIVE DYNAMICS; CONTACT AREAS; CONTROL CHARGE TRANSPORT; DRIFT DIFFUSION; ELECTROCHEMICAL PERFORMANCE; ELECTRODE MATERIAL; ELECTROSTATIC COUPLING; KINETIC MONTE CARLO; KINETIC MONTE CARLO SIMULATION; LITHIUM IONS; LITHIUM-ION BATTERY; MICROSCOPIC PROCESS; MICROSCOPIC SIMULATION; NANO SCALE; NANOSTRUCTURED ELECTRODE MATERIALS; NANOSTRUCTURED TIO; NANOSTRUCTURED TITANIA; RUTILE TIO; SURFACE SATURATION; TIO;

EID: 84864744706     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300562v     Document Type: Article
Times cited : (39)

References (47)
  • 1
    • 34547486889 scopus 로고    scopus 로고
    • Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications
    • Chen, X.; Mao, S. S. Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications Chem. Rev. 2007, 107, 2891-2959
    • (2007) Chem. Rev. , vol.107 , pp. 2891-2959
    • Chen, X.1    Mao, S.S.2
  • 3
    • 66349130556 scopus 로고    scopus 로고
    • Nanostructures and Lithium Electrochemical Reactivity of Lithium Titanites and Titanium Oxides: A Review
    • Yang, Z. G.; Choi, D.; Kerisit, S.; Rosso, K. M.; Wang, D. H.; Zhang, J.; Graff, G.; Liu, J. Nanostructures and Lithium Electrochemical Reactivity of Lithium Titanites and Titanium Oxides: A Review J. Power Sources 2009, 192, 588-598
    • (2009) J. Power Sources , vol.192 , pp. 588-598
    • Yang, Z.G.1    Choi, D.2    Kerisit, S.3    Rosso, K.M.4    Wang, D.H.5    Zhang, J.6    Graff, G.7    Liu, J.8
  • 13
    • 64949173479 scopus 로고    scopus 로고
    • Nanoionics: Ionic Charge Carriers in Small Systems
    • Maier, J. Nanoionics: Ionic Charge Carriers in Small Systems Phys. Chem. Chem. Phys. 2009, 11, 3011-3022
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 3011-3022
    • Maier, J.1
  • 14
    • 29444437534 scopus 로고    scopus 로고
    • Nanoionics: Ion Transport and Electrochemical Storage in Confined Systems
    • Maier, J. Nanoionics: Ion Transport and Electrochemical Storage in Confined Systems Nat. Mater. 2005, 4, 805-815
    • (2005) Nat. Mater. , vol.4 , pp. 805-815
    • Maier, J.1
  • 15
    • 67650074554 scopus 로고    scopus 로고
    • Nanoionics and Nanoelectronics
    • Kern, K.; Maier, J. Nanoionics and Nanoelectronics Adv. Mater. 2009, 21, 2569-2569
    • (2009) Adv. Mater. , vol.21 , pp. 2569-2569
    • Kern, K.1    Maier, J.2
  • 16
    • 0037327430 scopus 로고    scopus 로고
    • Defect Chemistry and Ion Transport in Nanostructured Materials - Part II. Aspects of Nanoionics
    • Maier, J. Defect Chemistry and Ion Transport in Nanostructured Materials-Part II. Aspects of Nanoionics Solid State Ionics 2003, 157, 327-334
    • (2003) Solid State Ionics , vol.157 , pp. 327-334
    • Maier, J.1
  • 18
    • 0036806753 scopus 로고    scopus 로고
    • On the Conductivity Mechanism of Nanocrystalline Ceria
    • Kim, S.; Maier, J. On the Conductivity Mechanism of Nanocrystalline Ceria J. Electrochem. Soc. 2002, 149, J73-J83
    • (2002) J. Electrochem. Soc. , vol.149
    • Kim, S.1    Maier, J.2
  • 21
    • 80052832896 scopus 로고    scopus 로고
    • Multiscale Simulations of Li Ion Conductivity in Solid Electrolyte
    • Sushko, M. L.; Rosso, K. M.; Zhang, J.; Liu, J. Multiscale Simulations of Li Ion Conductivity in Solid Electrolyte J. Phys. Chem. Lett. 2011, 2, 2352-2356
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 2352-2356
    • Sushko, M.L.1    Rosso, K.M.2    Zhang, J.3    Liu, J.4
  • 22
    • 79959974676 scopus 로고    scopus 로고
    • 4 Electrode Nanocrystals
    • 4 Electrode Nanocrystals Adv. Funct. Mater. 2011, 21, 2477-2487
    • (2011) Adv. Funct. Mater. , vol.21 , pp. 2477-2487
    • Hin, C.1
  • 23
    • 79955154890 scopus 로고    scopus 로고
    • Kinetic Monte Carlo Simulation of Surface Heterogenety in Graphite Anodes for Lithium-Ion Batteries: Passive Layer Formation
    • Methekar, R. N.; Northrop, P. W. C.; Chen, K.; Braatz, R. D.; Subramanian, V. R. Kinetic Monte Carlo Simulation of Surface Heterogenety in Graphite Anodes for Lithium-Ion Batteries: Passive Layer Formation J. Electrochem. Soc. 2011, 158, A363-A370
    • (2011) J. Electrochem. Soc. , vol.158
    • Methekar, R.N.1    Northrop, P.W.C.2    Chen, K.3    Braatz, R.D.4    Subramanian, V.R.5
  • 29
    • 67651172818 scopus 로고    scopus 로고
    • A Hierarchical Multi-Scale Method to Simulate Reactive-Diffusive Transport in Porous Media
    • Rai, A.; Warrier, M.; Schneider, R. A Hierarchical Multi-Scale Method to Simulate Reactive-Diffusive Transport in Porous Media Comput. Mater. Sci. 2009, 46, 469-478
    • (2009) Comput. Mater. Sci. , vol.46 , pp. 469-478
    • Rai, A.1    Warrier, M.2    Schneider, R.3
  • 30
    • 33947237274 scopus 로고    scopus 로고
    • An Overview of Spatial Microscopic and Accelerated Kinetic Monte Carlo Methods
    • Chatterjee, A.; Vlachos, D. G. An Overview of Spatial Microscopic and Accelerated Kinetic Monte Carlo Methods J. Comput.-Aided Mater. Design 2007, 14, 253-308
    • (2007) J. Comput.-Aided Mater. Design , vol.14 , pp. 253-308
    • Chatterjee, A.1    Vlachos, D.G.2
  • 31
    • 54449099239 scopus 로고    scopus 로고
    • Kinetic Activation-Relaxation Technique: An Off-Lattice Self-Learning Kinetic Monte Carlo Algorithm
    • El-Mellouhi, F.; Mousseau, N.; Lewis, L. J. Kinetic Activation-Relaxation Technique: An Off-Lattice Self-Learning Kinetic Monte Carlo Algorithm Phys. Rev. B 2008, 78, 153202
    • (2008) Phys. Rev. B , vol.78 , pp. 153202
    • El-Mellouhi, F.1    Mousseau, N.2    Lewis, L.J.3
  • 34
    • 1642395092 scopus 로고    scopus 로고
    • Orthorhombic Distortion on Li Intercalation in Anatase
    • Koudriachova, M. V.; de Leeuw, S. W.; Harrison, N. M. Orthorhombic Distortion on Li Intercalation in Anatase Phys. Rev. B 2004, 69, 054106
    • (2004) Phys. Rev. B , vol.69 , pp. 054106
    • Koudriachova, M.V.1    De Leeuw, S.W.2    Harrison, N.M.3
  • 35
    • 14344284973 scopus 로고    scopus 로고
    • Effect of Diffusion on Lithium Intercalation in Titanium Dioxide
    • Koudriachova, M. V.; Harrison, N. M.; de Leeuw, S. W. Effect of Diffusion on Lithium Intercalation in Titanium Dioxide Phys. Rev. Lett. 2001, 86, 1275-1278
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 1275-1278
    • Koudriachova, M.V.1    Harrison, N.M.2    De Leeuw, S.W.3
  • 38
    • 0001336104 scopus 로고    scopus 로고
    • First Principles Hartree-Fock Description of Lithium Insertion in Oxides
    • Mackrodt, W. C. First Principles Hartree-Fock Description of Lithium Insertion in Oxides J. Solid State Chem. 1999, 142, 428-439
    • (1999) J. Solid State Chem. , vol.142 , pp. 428-439
    • MacKrodt, W.C.1
  • 47
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.