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The potential of C3N nanoribbons used as anode material for lithium-ion batteries has been systematically investigated through first-principles calculations. The results suggest that C3N nanoribbons have excellent mechanical properties (stiffness ranging from 286.28 to 412.69 Nm(-1)) and good electronic conductivity (with a bandgap of 0-0.31 eV). Further studies reveal that the H-passivated C3N nanoribbons have high Li insertion capacity (708.60 mAhg(-1)) and significantly enhanced Li binding strength (0.21-2.11 eV) without the sacrifice of Li mobility. The high stiffness, superior cycle performance, good electronic conductivity, and excellent Li migration capability indicate the great potential of C3N nanoribbons to be an anode material. The calculated results provide the valuable insights for the development of high-performance C3N nanoribbons electrode materials in lithium-ion batteries. (C) 2020 Elsevier B.V. All rights reserved.
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PHYSICS LETTERS A
ISSN: 0375-9601
Year: 2020
Issue: 28
Volume: 384
2 . 6 0 0
JCR@2022
ESI Discipline: PHYSICS;
ESI HC Threshold:100
Cited Count:
WoS CC Cited Count: 10
SCOPUS Cited Count: 9
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 10
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