| ชื่อเรื่อง | : | Controlling Na diffusion by rational design of Si-based layered architectures |
| นักวิจัย | : | Kulish, Vadym V. , Malyi, Oleksandr I. , Ng, Man-Fai , Chen, Zhong , Manzhos, Sergei , Wu, Ping |
| คำค้น | : | DRNTU::Engineering::Materials::Microelectronics and semiconductor materials |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2557 |
| อ้างอิง | : | Kulish, V. V., Malyi, O. I., Ng, M. F., Chen, Z., Manzhos, S., & Wu, P. (2014). Controlling Na diffusion by rational design of Si-based layered architectures. Physical Chemistry Chemical Physics, 16(9), 4260-4267. , 1463-9076 , http://hdl.handle.net/10220/20247 , http://dx.doi.org/10.1039/c3cp54320j |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | Physical Chemistry Chemical Physics |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | 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. In contrast to Si bulk, where Na insertion is energetically unfavorable, Na storage can be achieved in polysilane and silicene. The energy barrier for Na diffusion is reduced from 1.06 eV in the Si bulk to 0.41 eV in polysilane. The 10 improvements in storage energetics and in the activation energy for Na diffusion are attributed to the large surface area and available free volume for the large Na cation. Based on these results, we suggest that polysilane may be a promising anode material for Na-ion and Li-ion batteries with high charge/discharge rates. |
| บรรณานุกรม | : |
Kulish, Vadym V. , Malyi, Oleksandr I. , Ng, Man-Fai , Chen, Zhong , Manzhos, Sergei , Wu, Ping . (2557). Controlling Na diffusion by rational design of Si-based layered architectures.
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Kulish, Vadym V. , Malyi, Oleksandr I. , Ng, Man-Fai , Chen, Zhong , Manzhos, Sergei , Wu, Ping . 2557. "Controlling Na diffusion by rational design of Si-based layered architectures".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Kulish, Vadym V. , Malyi, Oleksandr I. , Ng, Man-Fai , Chen, Zhong , Manzhos, Sergei , Wu, Ping . "Controlling Na diffusion by rational design of Si-based layered architectures."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2557. Print. Kulish, Vadym V. , Malyi, Oleksandr I. , Ng, Man-Fai , Chen, Zhong , Manzhos, Sergei , Wu, Ping . Controlling Na diffusion by rational design of Si-based layered architectures. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2557.
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