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Study of Lithium Migration Pathways in the Organic Electrode Materials of Li-Battery by Dispersion-Corrected Density Functional Theory

  • 【作者】Chen, Y.,Sun, S.,Wang, X.,Shi, Q.
  • 【刊名】Journal of Physical Chemistry C
  • 【作者单位】a Beijing Key Laboratory for Green Catalysis and Separation, College of Environmental and Energy Engineering, Beijing University of Technology, Beijing, 100124, China; b Department of Chemistry, Taiyuan Normal University, Taiyuan, 030031, China
  • 【年份】2015
  • 【卷号】Vol.119 No.46
  • 【页码】25719-25725
  • 【ISSN】1932-7447;1932-7455
  • 【关键词】INITIO MOLECULAR-DYNAMICS AB-INITIO ION BATTERIES ENERGY-STORAGE RECHARGEABLE BATTERIES HIGH-CAPACITY DIFFUSION CRYSTALS INTERCALATION MECHANISM 
  • 【摘要】 Organic materials have been considered a promising alternative as electrodes for rechargeable lithium-ion batteries. However, there are some obvious shortcomings, especially poor dynamics performance. Approaches to understand the reason for the poor ...
  • 【文献类型】 期刊
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