Journal
PHYSICS LETTERS A
Volume 390, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2020.127113
Keywords
First principle calculation; Sodium-ion batteries; Anode material
Categories
Funding
- Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure [SKL201803SIC]
- National Key Research and Development Program [2019YFE0112000]
- Department of Education of Zhejiang Province [Y201942532]
- Zhejiang Provincial Natural Science Foundation [LY17A040010]
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The carbon structure bco-C-16 shows great potential to be an excellent anode material for NIBs, with high stability, high maximum capacity, low sodium ion diffusion energy barrier, and good conductivity.
Sodium-ion batteries (NIBs) are considered to be reasonable alternatives for lithium-ion batteries (LIBs). Currently, searching high performance anodes is a key challenge for rechargeable NIBs. Using the first-principle method, we have investigated properties of body-centered orthorhombic carbon structure (bco-C-16) as anode materials for NIBs. 4 Na ions can be adsorbed stably in the structure at most as an electrode material of battery, and its maximum capacity is correspondingly 160.49 mAh/g. The diffusion energy barrier of Na in bco-C-16 is small as 9 meV, mirroring an excellent mobility rate. Together with the small volume change and better conductivity as Na ions inserted, we suggest that bco-C-16 has great potential to be an excellent all-carbon-based semimetal for NIBs anode material. (c) 2020 Elsevier B.V. All rights reserved.
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