Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode

Shen, Yupeng; Wang, Qian; Kawazoe, Y.; Jena, Puru

doi:10.1016/j.jpowsour.2020.228746

Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode

Journal Article · Sat Aug 29 00:00:00 EDT 2020 · Journal of Power Sources

DOI:https://doi.org/10.1016/j.jpowsour.2020.228746· OSTI ID:1850116

Shen, Yupeng ^[1]; Wang, Qian ^[2]; Kawazoe, Y. ^[3]; Jena, Puru ^[4]

Peking Univ., Beijing (China). College of Engineering. HEDPS, BKL-MEMD. Dept. of Materials Science and Engineering. Center for Applied Physics and Technology; Peking Univ., Beijing (China)
Peking Univ., Beijing (China). College of Engineering. HEDPS, BKL-MEMD. Dept. of Materials Science and Engineering. Center for Applied Physics and Technology
Tohoku Univ., Sendai (Japan). New Industry Creation Hatchery Center; SRM Inst. of Science and Technology, Kattankulathur (India). Dept. of Physics and Nanotechnology; Suranaree Univ. of Technology, Nakhon Ratchasima (Thailand)
Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Physics

As an alternative to lithium-ion batteries (LIBs), sodium-ion batteries (SIBs) have attracted much attention because sodium is abundant, cost-effective, and environmentally benign. However, due to the larger size of Na-ion compared to the Li-ion, graphite does not work well as an anode for SIBs, as it does for LIBs. In this work, based on first-principles calculations, we show that the recently proposed topological semi-metallic carbon, HZGM-42, has great potential as an anode material for SIBs. With a large capacity of 318.5 mAhg^-1, low diffusion barrier of 0.08–0.21 eV, low average open-circuit voltage of 0.43 V, and a small volume expansion of 1.85%, the all-carbon topological quantum HZGM-42 has high energy density, good rate capability, and excellent cycling stability and can serve as a universal anode material for both LIBs and SIBs.

View Accepted Manuscript (DOE)

Research Organization:: Virginia Commonwealth Univ., Richmond, VA (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-96ER45579

OSTI ID:: 1850116

Alternate ID(s):: OSTI ID: 1809593

Journal Information:: Journal of Power Sources, Journal Name: Journal of Power Sources Journal Issue: C Vol. 478; ISSN 0378-7753

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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