期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 7, 期 10, 页码 5733-5739出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8ta11276b
关键词
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资金
- National Key Research and Development Program of China [2016YFB0100200]
- National Natural Science Foundation of China [21573008, 21773003]
- U.S. DOE, Office of Basic Energy Sciences, and Division of Material Sciences and Engineering [DE-FG02-96ER45579]
Na-ion batteries, as an alternative to Li-ion batteries, have gained increasing attention due to the abundance of sodium and its low cost. In the present work, we prepare a 3D porous carbon material by inserting hexagonal carbon rings into sp(3) C-C bonds in a previously established 3D-(4,4) lattice, termed tC(24). Ab initio calculations uncover that not only is tC(24) thermally, dynamically and mechanically stable, but it also exhibits a unique electronic band structure with two topological nodal surfaces traversing through the whole Brillouin zone. More importantly, tC(24) is the first all carbon topological nodal-surface semimetal for Na-ion batteries, exhibiting a high theoretical capacity of 232.65 mA h g(-1), a low diffusion energy barrier for Na ions, an appropriate average voltage of 0.54 V and a negligible volume change (approximate to 0.94%) during charging/discharging operation. These properties provide tC(24) with a potentially long cycling life when used as an anode material for Na-ion batteries.
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