【序号】：1 【作者】：Shin D, Wolverton C, Croy JR, Balasubramanian M, Kang SH, Rivera CML 【题名】： First-Principles Calculations, Electrochemical and X-ray Absorption Studies of Li-Ni-PO4 Surface-Treated xLi2MnO3-(1-x)LiMO2 (M = Mn, Ni, Co) Electrodes for Li-Ion Batteries 【期刊】：Journal of The Electrochemical Society 【年、卷、期、起止页码】: 2012;159(2):A121-A7. 【全文链接】：
【序号】：2 【作者】：San CH, Hong CW. 【题名】：Quantum Analysis on the Platinum-Nitrogen Doped Carbon Nanotubes for the Oxygen Reduction Reaction at the Air Cathode of Lithium-Air Batteries and Fuel Cells 【期刊】：Journal of The Electrochemical Society 【年、卷、期、起止页码】: 2012;159(5):K116-K21. 【全文链接】：
【序号】：3 【作者】：Song B, Yang J, Zhao J, Fang H. 【题名】：Intercalation and diffusion of lithium ions in a carbon nanotube bundle by ab initio molecular dynamics simulations 【期刊】：Energy & Environmental Science 【年、卷、期、起止页码】: 2011;4(4):1379. 【全文链接】：
【序号】：4 【作者】：Sekizawa O, Kitamura N, Idemoto Y. 【题名】：Effect of Excess Li and Cation Mixing on Electronic Structure of LiNi0.5Mn0.5O2 Cathode Active Material of Lithium-Ion Battery Investigated by First-Principle Calculation 【期刊】：Electrochemistry 【年、卷、期、起止页码】:2011;79(2):80-5. 【全文链接】：
【序号】：5 【作者】：A Hybrid Quantum-Classical Simulation Study on Stress-Dependence of Li Diffusivity in Graphite. 【题名】：Effect of Excess Li and Cation Mixing on Electronic Structure of LiNi0.5Mn0.5O2 Cathode Active Material of Lithium-Ion Battery Investigated by First-Principle Calculation 【期刊】：Cmes-Computer Modeling in Engineering & Sciences 【年、卷、期、起止页码】:2011;75(3-4):247-65. 【全文链接】：
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