Controlling Na diffusion by rational design of Si-based layered architectures
By means of density functional theory, we systematically investigate the insertion and diffusion of Na and Li in layered Si materials (polysilane and H-passivated silicene), in comparison with Si bulk. It is found that Na binding and mobility can be significantly facilitated in layered Si structures...
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Main Authors: | Kulish, Vadym V., Malyi, Oleksandr I., Ng, Man-Fai, Chen, Zhong, Manzhos, Sergei, Wu, Ping |
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其他作者: | School of Materials Science & Engineering |
格式: | Article |
語言: | English |
出版: |
2014
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主題: | |
在線閱讀: | https://hdl.handle.net/10356/104543 http://hdl.handle.net/10220/20247 |
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機構: | Nanyang Technological University |
語言: | English |
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