Evaluation of Si/BC3 nanotube complex as anode materials for Li-ion battery - a DFT-D study

• 主要作者: Kwan, Wai Yee.
• 其他作者: Su Haibin
• 格式: Final Year Project
• 語言: English
• 出版: 2010
• 主題: DRNTU::Engineering::Nanotechnology; DRNTU::Engineering::Materials
• 在線閱讀: http://hdl.handle.net/10356/39436
• 機構: Nanyang Technological University

The possibility of Si/BC3 nanotube complex as potential anode materials for Li-ion battery was evaluated by first principles calculation based on density functional theory with dispersion correction (DFT-D). Li atom can adhere well on the inner and outer surfaces of BC3 nanotubes and the most stab...