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

• المؤلف الرئيسي: Kwan, Wai Yee.
• مؤلفون آخرون: Su Haibin
• التنسيق: Final Year Project
• اللغة: English
• منشور في: 2010
• الموضوعات: DRNTU::Engineering::Nanotechnology; DRNTU::Engineering::Materials
• الوصول للمادة أونلاين: http://hdl.handle.net/10356/39436
• المؤسسة: 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...