메뉴 건너뛰기




Volumn 5, Issue 7, 2014, Pages 1283-1288

Atom-level understanding of the sodiation process in silicon anode material

Author keywords

ab initio calculation; amorphous silicon; molecular dynamics; Na ion battery; sodiation

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO MOLECULAR DYNAMICS SIMULATION; LI-ION BATTERIES; NA-ION BATTERIES; ROOM TEMPERATURE; SODIATION; SPECIFIC CAPACITIES; VOLUME EXPANSION;

EID: 84898080702     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz5002743     Document Type: Article
Times cited : (134)

References (43)
  • 1
    • 0030974077 scopus 로고    scopus 로고
    • Tin-based amorphous oxide: A high-capacity lithium-ion-storage material
    • DOI 10.1126/science.276.5317.1395
    • Idota, Y.; Kubota, T.; Matsufuji, A.; Maekawa, Y.; Miyasaka, T. Tin-Based Amorphous Oxide: A High-Capacity Lithium-Ion-Storage Material Science 1997, 276, 1395-1397 (Pubitemid 27235403)
    • (1997) Science , vol.276 , Issue.5317 , pp. 1395-1397
    • Idota, Y.1    Kubota, T.2    Matsufuji, A.3    Maekawa, Y.4    Miyasaka, T.5
  • 2
    • 0034727086 scopus 로고    scopus 로고
    • Nano-Sized Transition-Metal Oxides as Negative-Electrode Materials for Lithium-Ion Batteries
    • Poizot, P.; Laruelle, S.; Grugeon, S.; Dupont, L.; Tarascon, J.-M. Nano-Sized Transition-Metal Oxides as Negative-Electrode Materials for Lithium-Ion Batteries Nature 2000, 407, 496-499
    • (2000) Nature , vol.407 , pp. 496-499
    • Poizot, P.1    Laruelle, S.2    Grugeon, S.3    Dupont, L.4    Tarascon, J.-M.5
  • 3
    • 0035890440 scopus 로고    scopus 로고
    • Issues and challenges facing rechargeable lithium batteries
    • DOI 10.1038/35104644
    • Tarascon, J.-M.; Armand, M. Issues and Challenges Facing Rechargeable Lithium Batteries Nature 2001, 414, 359-367 (Pubitemid 33100023)
    • (2001) Nature , vol.414 , Issue.6861 , pp. 359-367
    • Tarascon, J.-M.1    Armand, M.2
  • 6
    • 84867297718 scopus 로고    scopus 로고
    • Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries
    • Kim, S.-W.; Seo, D.-H.; Ma, X.; Ceder, G.; Kang, K. Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries Adv. Energy Mater. 2012, 2, 710-721
    • (2012) Adv. Energy Mater. , vol.2 , pp. 710-721
    • Kim, S.-W.1    Seo, D.-H.2    Ma, X.3    Ceder, G.4    Kang, K.5
  • 9
    • 80052193621 scopus 로고    scopus 로고
    • Voltages, Stability and Diffusion Barrier Differences between Sodium-Ion and Lithium-Ion Intercalation Materials
    • Ong, S. P.; Chevrier, V. L.; Hautier, G.; Jain, A.; Moore, C.; Kim, S.; Ma, X.; Ceder, G. Voltages, Stability and Diffusion Barrier Differences Between Sodium-Ion and Lithium-Ion Intercalation Materials Energy Environ. Sci. 2011, 4, 3680-3688
    • (2011) Energy Environ. Sci. , vol.4 , pp. 3680-3688
    • Ong, S.P.1    Chevrier, V.L.2    Hautier, G.3    Jain, A.4    Moore, C.5    Kim, S.6    Ma, X.7    Ceder, G.8
  • 12
    • 84883289089 scopus 로고    scopus 로고
    • A Zero-Strain Layered Metal Oxide as the Negative Electrode for Long-Life Sodium-Ion Batteries
    • Wang, Y.; Yu, X.; Xu, S.; Bai, J.; Xiao, R.; Hu, Y.-S.; Li, H.; Yang, X.-Q.; Chen, L.; Huang, X. A Zero-Strain Layered Metal Oxide as the Negative Electrode for Long-Life Sodium-Ion Batteries Nat. Commun. 2013, 4, 2365
    • (2013) Nat. Commun. , vol.4 , pp. 2365
    • Wang, Y.1    Yu, X.2    Xu, S.3    Bai, J.4    Xiao, R.5    Hu, Y.-S.6    Li, H.7    Yang, X.-Q.8    Chen, L.9    Huang, X.10
  • 13
    • 84874044687 scopus 로고    scopus 로고
    • Anomalous Manganese Activation of a Pyrophosphate Cathode in Sodium Ion Batteries: A Combined Experimental and Theoretical Study
    • Park, C. S.; Kim, H.; Shakoor, R. A.; Yang, E.; Lim, S. Y.; Kahraman, R.; Jung, Y.; Choi, J. W. Anomalous Manganese Activation of a Pyrophosphate Cathode in Sodium Ion Batteries: A Combined Experimental and Theoretical Study J. Am. Chem. Soc. 2013, 135, 2787-2792
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 2787-2792
    • Park, C.S.1    Kim, H.2    Shakoor, R.A.3    Yang, E.4    Lim, S.Y.5    Kahraman, R.6    Jung, Y.7    Choi, J.W.8
  • 16
    • 84878877019 scopus 로고    scopus 로고
    • An Amorphous Red Phosphorus/Carbon Composite as a Promising Anode Material for Sodium Ion Batteries
    • Kim, Y.; Park, Y.; Choi, A.; Choi, N.-S.; Kim, J.; Lee, J.; Ryu, J. H.; Oh, S. M.; Lee, K. T. An Amorphous Red Phosphorus/Carbon Composite as a Promising Anode Material for Sodium Ion Batteries Adv. Mater. 2013, 25, 3045-3049
    • (2013) Adv. Mater. , vol.25 , pp. 3045-3049
    • Kim, Y.1    Park, Y.2    Choi, A.3    Choi, N.-S.4    Kim, J.5    Lee, J.6    Ryu, J.H.7    Oh, S.M.8    Lee, K.T.9
  • 17
    • 84876484953 scopus 로고    scopus 로고
    • High Capacity and Rate Capability of Amorphous Phorphorus for Sodium Ion Batteries
    • Qian, J.; Wu, X.; Cao, Y.; Ai, X.; Yang, H. High Capacity and Rate Capability of Amorphous Phorphorus for Sodium Ion Batteries Angew. Chem., Int. Ed. 2013, 125, 4731-4734
    • (2013) Angew. Chem., Int. Ed. , vol.125 , pp. 4731-4734
    • Qian, J.1    Wu, X.2    Cao, Y.3    Ai, X.4    Yang, H.5
  • 18
    • 84879990082 scopus 로고    scopus 로고
    • Intrinsic Thermodynamic and Kinetic Properties of Sb Electrodes for Li-Ion and Na-Ion Batteries: Experiment and Theory
    • Baggetto, L.; Ganesh, P.; Sun, C.-N.; Meisner, R. A.; Zawodzinski, T. A.; Veith, G. M. Intrinsic Thermodynamic and Kinetic Properties of Sb Electrodes for Li-Ion and Na-Ion Batteries: Experiment and Theory J. Mater. Chem. A 2013, 1, 7985-7994
    • (2013) J. Mater. Chem. A , vol.1 , pp. 7985-7994
    • Baggetto, L.1    Ganesh, P.2    Sun, C.-N.3    Meisner, R.A.4    Zawodzinski, T.A.5    Veith, G.M.6
  • 19
    • 84887289878 scopus 로고    scopus 로고
    • The Electrochemical Reactions of Pure Indium with Li and Na: Anomalous Electrolyte Decomposition, Benefits of FEC additive, Phase Transitions and Electrode Performance
    • Webb, S. A.; Baggetto, L.; Bridges, C. A.; Veith, G. M. The Electrochemical Reactions of Pure Indium with Li and Na: Anomalous Electrolyte Decomposition, Benefits of FEC additive, Phase Transitions and Electrode Performance J. Power Sources 2014, 248, 1105-1117
    • (2014) J. Power Sources , vol.248 , pp. 1105-1117
    • Webb, S.A.1    Baggetto, L.2    Bridges, C.A.3    Veith, G.M.4
  • 21
    • 84893642184 scopus 로고    scopus 로고
    • In Situ XRD Study of Silicon, Lead and Bismuth Negative Electrodes in Nonaqueous Sodium Cells
    • Ellis, L. D.; Wilkes, B. N.; Hatchard, T. D.; Obrovac, M. N. In Situ XRD Study of Silicon, Lead and Bismuth Negative Electrodes in Nonaqueous Sodium Cells J. Electrochem. Soc. 2014, 161, A416-A421
    • (2014) J. Electrochem. Soc. , vol.161
    • Ellis, L.D.1    Wilkes, B.N.2    Hatchard, T.D.3    Obrovac, M.N.4
  • 22
    • 79960898109 scopus 로고    scopus 로고
    • Challenges for Na-Ion Negative Electrodes
    • Chevrier, V. L.; Ceder, G. Challenges for Na-Ion Negative Electrodes J. Electrochem. Soc. 2011, 158, A1011-A1014
    • (2011) J. Electrochem. Soc. , vol.158
    • Chevrier, V.L.1    Ceder, G.2
  • 23
    • 84868468950 scopus 로고    scopus 로고
    • Elastic Softening of Alloy Negative Electrodes for Na-Ion Batteries
    • Mortazavi, M.; Deng, J.; Shenoy, V. B.; Medhekar, N. V. Elastic Softening of Alloy Negative Electrodes for Na-Ion Batteries J. Power Sources 2013, 225, 207-214
    • (2013) J. Power Sources , vol.225 , pp. 207-214
    • Mortazavi, M.1    Deng, J.2    Shenoy, V.B.3    Medhekar, N.V.4
  • 25
    • 33750430832 scopus 로고    scopus 로고
    • Highly reversible lithium storage in spheroidal carbon-coated silicon nanocomposites as anodes for lithium-ion batteries
    • DOI 10.1002/anie.200601676
    • Ng, S.-H.; Wang, J.; Wexler, D.; Konstantinov, K.; Guo, Z.-P.; Liu, H.-K. Highly Reversible Lithium Storage in Spheroidal Carbon-Coated Silicon Nanocomposites as Anodes for Lithium-Ion Batteries Angew. Chem., Int. Ed. 2006, 45, 6896-6899 (Pubitemid 44654488)
    • (2006) Angewandte Chemie - International Edition , vol.45 , Issue.41 , pp. 6896-6899
    • Ng, S.-H.1    Wang, J.2    Wexler, D.3    Konstantinov, K.4    Guo, Z.-P.5    Liu, H.-K.6
  • 26
    • 77953892395 scopus 로고    scopus 로고
    • Deformations in Si-Li Anodes upon Electrochemical Alloying in Nano-Confined Space
    • Hertzberg, B.; Alexeev, A.; Yushin, G. Deformations in Si-Li Anodes upon Electrochemical Alloying in Nano-Confined Space J. Am. Chem. Soc. 2010, 132, 8548-8549
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 8548-8549
    • Hertzberg, B.1    Alexeev, A.2    Yushin, G.3
  • 27
    • 79960218035 scopus 로고    scopus 로고
    • Anomalous Shape Changes of Silicon Nanopillars by Electrochemical Lithiation
    • Lee, S. W.; McDowell, M. T.; Choi, J. W.; Cui, Y. Anomalous Shape Changes of Silicon Nanopillars by Electrochemical Lithiation Nano Lett. 2011, 11, 3034-3039
    • (2011) Nano Lett. , vol.11 , pp. 3034-3039
    • Lee, S.W.1    McDowell, M.T.2    Choi, J.W.3    Cui, Y.4
  • 28
    • 67649967717 scopus 로고    scopus 로고
    • Real-Time NMR Investigations of Structural Changes in Silicon Electrodes for Lithium-Ion Batteries
    • Key, B.; Bhattacharyya, R.; Morcrette, M.; Seznéc, V.; Tarascon, J.-M.; Grey, C. P. Real-Time NMR Investigations of Structural Changes in Silicon Electrodes for Lithium-Ion Batteries J. Am. Chem. Soc. 2009, 131, 9239-9249
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 9239-9249
    • Key, B.1    Bhattacharyya, R.2    Morcrette, M.3    Seznéc, V.4    Tarascon, J.-M.5    Grey, C.P.6
  • 29
    • 79851468777 scopus 로고    scopus 로고
    • Pair Distribution Function Analysis and Solid State NMR Studies of Silicon Electrodes for Lithium Ion Batteries: Understanding the (De)lithiation Mechanisms
    • Key, B.; Morcrette, M.; Tarascon, J.-M.; Grey, C. P. Pair Distribution Function Analysis and Solid State NMR Studies of Silicon Electrodes for Lithium Ion Batteries: Understanding the (De)lithiation Mechanisms J. Am. Chem. Soc. 2010, 133, 503-512
    • (2010) J. Am. Chem. Soc. , vol.133 , pp. 503-512
    • Key, B.1    Morcrette, M.2    Tarascon, J.-M.3    Grey, C.P.4
  • 30
    • 2342577530 scopus 로고    scopus 로고
    • Structural Changes in Silicon Anodes during Lithium Insertion/Extraction
    • Obrovac, M. N.; Christensen, L. Structural Changes in Silicon Anodes during Lithium Insertion/Extraction Electrochem. Solid-State Lett. 2004, 7, A93-A96
    • (2004) Electrochem. Solid-State Lett. , vol.7
    • Obrovac, M.N.1    Christensen, L.2
  • 31
    • 2942642549 scopus 로고    scopus 로고
    • In Situ XRD and Electrochemical Study of the Reaction of Lithium with Amorphous Silicon
    • Hatchard, T. D.; Dahn, J. R. In Situ XRD and Electrochemical Study of the Reaction of Lithium with Amorphous Silicon J. Electrochem. Soc. 2004, 151, A838-A842
    • (2004) J. Electrochem. Soc. , vol.151
    • Hatchard, T.D.1    Dahn, J.R.2
  • 32
    • 33846996042 scopus 로고    scopus 로고
    • An in Situ X-ray Diffraction Study of the Reaction of Li with Crystalline Si
    • Li, J.; Dahn, J. R. An In Situ X-ray Diffraction Study of the Reaction of Li with Crystalline Si J. Electrochem. Soc. 2007, 154, A156-A161
    • (2007) J. Electrochem. Soc. , vol.154
    • Li, J.1    Dahn, J.R.2
  • 33
    • 67349150423 scopus 로고    scopus 로고
    • Na-Si Binary Phase Diagram and Solution Growth of Silicon Crystals
    • Morito, H.; Yamada, T.; Ikeda, T.; Yamane, H. Na-Si Binary Phase Diagram and Solution Growth of Silicon Crystals J. Alloys Compd. 2009, 480, 723-726
    • (2009) J. Alloys Compd. , vol.480 , pp. 723-726
    • Morito, H.1    Yamada, T.2    Ikeda, T.3    Yamane, H.4
  • 34
    • 0019560649 scopus 로고
    • Chemical diffusion in intermediate phases in the lithium-silicon system
    • Wen, C. J.; Huggins, R. A. Chemical Diffusion in Intermediate Phases in the Lithium-Silicon System J. Solid State Chem. 1981, 37, 271-278 (Pubitemid 12502123)
    • (1981) Journal of Solid State Chemistry , vol.37 , Issue.3 , pp. 271-278
    • Wen C.John1    Huggins Robert, A.2
  • 35
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 36
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 37
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 39
    • 77955595603 scopus 로고    scopus 로고
    • First-Principles Study of the Mechanical and Optical Properties of Amorphous Hydrogenated Silicon and Silicon-Rich Silicon Oxide
    • Bondi, R. J.; Lee, S.; Hwang, G. S. First-Principles Study of the Mechanical and Optical Properties of Amorphous Hydrogenated Silicon and Silicon-Rich Silicon Oxide Phys. Rev. B 2010, 81, 195207
    • (2010) Phys. Rev. B , vol.81 , pp. 195207
    • Bondi, R.J.1    Lee, S.2    Hwang, G.S.3
  • 40
    • 79952672319 scopus 로고    scopus 로고
    • Structure and Properties of Li-Si Alloys: A First-Principles Study
    • Kim, H.; Chou, C.-Y.; Ekerdt, J. G.; Hwang, G. S. Structure and Properties of Li-Si Alloys: A First-Principles Study J. Phys. Chem. C 2011, 115, 2514-2521
    • (2011) J. Phys. Chem. C , vol.115 , pp. 2514-2521
    • Kim, H.1    Chou, C.-Y.2    Ekerdt, J.G.3    Hwang, G.S.4
  • 41
    • 80053924028 scopus 로고    scopus 로고
    • A Comparative First-Principles Study of the Structure, Energetics, and Properties of Li-M (M = Si, Ge, Sn) Alloys
    • Chou, C.-Y.; Kim, H.; Hwang, G. S. A Comparative First-Principles Study of the Structure, Energetics, and Properties of Li-M (M = Si, Ge, Sn) Alloys J. Phys. Chem. C 2011, 115, 20018-20026
    • (2011) J. Phys. Chem. C , vol.115 , pp. 20018-20026
    • Chou, C.-Y.1    Kim, H.2    Hwang, G.S.3
  • 42
    • 84867468825 scopus 로고    scopus 로고
    • Anisotropic Volume Expansion of Crystalline Silicon during Electrochemical Lithium Insertion: An Atomic Level Rationale
    • Jung, S. C.; Choi, J. W.; Han, Y.-K. Anisotropic Volume Expansion of Crystalline Silicon during Electrochemical Lithium Insertion: An Atomic Level Rationale Nano Lett. 2012, 12, 5342-5347
    • (2012) Nano Lett. , vol.12 , pp. 5342-5347
    • Jung, S.C.1    Choi, J.W.2    Han, Y.-K.3
  • 43
    • 84882392962 scopus 로고    scopus 로고
    • 3 Coating Layer during Lithiation in Li-Ion Batteries?
    • 3 Coating Layer during Lithiation in Li-Ion Batteries? J. Phys. Chem. Lett. 2013, 4, 2681-2685
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 2681-2685
    • Jung, S.C.1    Han, Y.-K.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.