Topological semimetal porous carbon as a high-performance anode for Li-ion batteries

• Published in: Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2019, Vol.7 (23), p.14253-14259
• Main Authors: Xie, Huanhuan, Qie, Yu, Imran, Muhammad, Sun, Qiang
• Format: Article
• Language: English
• Subjects: Anodes; Batteries; Carbon; Diffusion barriers; Electrode materials; Ion diffusion; Lithium; Lithium-ion batteries; Porosity; Rechargeable batteries; Specific capacity; Topology
• ISSN: 2050-7488; 2050-7496
• DOI: 10.1039/c9ta03587g

Motivated by the advantages of inherent high electronic conductivity and ordered porosity of topological semimetal monoclinic C 16 (m-C 16 ), we explore its possible use as a lithium-ion battery anode material. Using state-of-the-art theoretical calculations, we show that the m-C 16 structure has a high specific capacity of 558 mA h g −1 , a low Li ion diffusion energy barrier of 0.25 eV, and a small volume change of 3.6% during charging/discharging operation. The overall performance of m-C 16 is superior to that of topological semimetal body-centered orthorhombic C 16 (bco-C 16 ) reported recently with corresponding values of 558 mA h g −1 , 0.53 eV and 13.4%. This study further expands the family of porous topological carbon for high-performance anode materials going beyond the commercially used graphite. Motivated by the advantages of inherent high electronic conductivity and ordered porosity of topological semimetal monoclinic C 16 (m-C 16 ), we explore its possible use as a lithium-ion battery anode material.