First-principles Study of the Effect of Chemical Doping on the Structures, Kinetics, Thermodynamics, and Mechanical Properties of the Si-based Anode Materials
博士 === 國立臺灣大學 === 材料科學與工程學研究所 === 105 === In this work, we have employed first-principles density functional theory calculations and ab initio molecular dynamic simulations to investigate the physical and chemical properties of the pristine and doped Si-based anodes during the lithiation processes,...
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| Format: | Others |
| Language: | en_US |
| Published: |
2017
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| Online Access: | http://ndltd.ncl.edu.tw/handle/gmxsj6 |