Enhanced Li adsorption and diffusion in single-walled silicon nanotubes : an ab initio study

• Main Authors: Kulish, Vadym V., Ng, Man-Fai, Malyi, Oleksandr I., Wu, Ping, Chen, Zhong
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Engineering::Materials
• Online Access: https://hdl.handle.net/10356/102392; http://hdl.handle.net/10220/18979
• Institution: Nanyang Technological University

We report a first-principles investigation of Li adsorption and diffusion in single-walled Si nanotubes (SWSiNTs) of interest to Li-ion battery anodes. We calculate Li insertion characteristics in SWSiNTs and compare them with the respective ones in carbon nanotubes (CNTs) and other silicon nanostru...