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

Abstract

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.

Authors:
 [1];  [1];  [2];  [3]
  1. Peking Univ., Beijing (China). College of Engineering. HEDPS, BKL-MEMD. Dept. of Materials Science and Engineering. Center for Applied Physics and Technology
  2. 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)
  3. Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Physics
Publication Date:
Research Org.:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1850116
Alternate Identifier(s):
OSTI ID: 1809593
Grant/Contract Number:  
FG02-96ER45579; 11974028; 21773004
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Power Sources
Additional Journal Information:
Journal Volume: 478; Journal Issue: C; Journal ID: ISSN 0378-7753
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 25 ENERGY STORAGE; 36 MATERIALS SCIENCE; Chemistry; Electrochemistry; Energy & Fuels; Materials Science; Carbon; Anode; Nodal-line semi-metallic; Sodium-ion battery; DFT

Citation Formats

Shen, Yupeng, Wang, Qian, Kawazoe, Y., and Jena, Puru. Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode. United States: N. p., 2020. Web. doi:10.1016/j.jpowsour.2020.228746.
Shen, Yupeng, Wang, Qian, Kawazoe, Y., & Jena, Puru. Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode. United States. https://doi.org/10.1016/j.jpowsour.2020.228746
Shen, Yupeng, Wang, Qian, Kawazoe, Y., and Jena, Puru. Sat . "Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode". United States. https://doi.org/10.1016/j.jpowsour.2020.228746. https://www.osti.gov/servlets/purl/1850116.
@article{osti_1850116,
title = {Potential of porous nodal-line semi-metallic carbon for sodium-ion battery anode},
author = {Shen, Yupeng and Wang, Qian and Kawazoe, Y. and Jena, Puru},
abstractNote = {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.},
doi = {10.1016/j.jpowsour.2020.228746},
journal = {Journal of Power Sources},
number = C,
volume = 478,
place = {United States},
year = {Sat Aug 29 00:00:00 EDT 2020},
month = {Sat Aug 29 00:00:00 EDT 2020}
}

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