A 3D porous honeycomb carbon as Na-ion battery anode material with high capacity, excellent rate performance, and robust stability

Zhou, Wenyang; Xie, Huanhuan; Wang, Shuo; Wang, Qian; Jena, Puru

doi:10.1016/j.carbon.2020.06.070

Title: A 3D porous honeycomb carbon as Na-ion battery anode material with high capacity, excellent rate performance, and robust stability

Journal Article · Wed Aug 12 00:00:00 EDT 2020 · Carbon

DOI:https://doi.org/10.1016/j.carbon.2020.06.070· OSTI ID:1850115

Zhou, Wenyang ^[1]; Xie, Huanhuan ^[2]; Wang, Shuo ^[2]; Wang, Qian ^[2]; Jena, Puru ^[3]

Peking Univ., Beijing (China); Virginia Commonwealth Univ., Richmond, VA (United States)
Peking Univ., Beijing (China)
Virginia Commonwealth Univ., Richmond, VA (United States)

Motivated by the synthesis of three-dimensional (3D) honeycomb carbon structures and the subsequent theoretical prediction of an energetically more favorable hexagonal carbon phase composed of 28 carbon atoms in the unit cell (hC28) with ordered pores, excellent mechanical properties, and metallic feature, we explore its potential for a Na-ion battery (NIB) anode material. Using density functional theory based calculations, we find that hC28 is a promising candidate whose specific capacity of 717 mAh/g is almost three times larger than that of hard carbon (~250 mAh/g). In addition, migration barrier of Na ions along the honeycomb channel is only 0.08 eV and the volume change during the charging/discharging process is merely 2.30%, which are much less than those of other carbon-based NIB anode materials. The average voltage is also low (0.36 eV) which can provide high operating voltage when connected to the cathode. Finally, these encouraging results would pave the way towards the development of hC28 as NIB anode with high capacity, excellent rate performance, low open-circuit voltage, and long-term cycle life.

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

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

Grant/Contract Number:: FG02-96ER45579; NSFC-11974028; NSFC-21773004; 2016YFE0127300; 2017YFA0205003

OSTI ID:: 1850115

Alternate ID(s):: OSTI ID: 1712811

Journal Information:: Carbon, Vol. 168, Issue C; ISSN 0008-6223

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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