2D honeycomb borophene oxide: a promising anode material offering super high capacity for Li/Na-ion batteries
2D honeycomb borophene oxide: a promising anode material offering super high capacity for Li/Na-ion batteries
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二维蜂窝状硼烯氧化物：一种有前景的负极材料，可为锂/钠离子电池提供超高容量
DOI：
10.1088/1361-648x/ab4f4d
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发表时间：
2020-02-06
影响因子：
2.7
通讯作者：
Ouyang, Chuying
中科院分区：
文献类型：
--
作者：
Hu, Junping;Zhong, Chengyong;Ouyang, Chuying
Rational design of novel two-dimensional (2D) electrode materials with high capacity is crucial for the further development of Li-ion and Na-ion batteries. Herein, based on first-principles calculations, we systemically investigate Li and Na storage behaviors in the recently discovered 2D topological nodal-loop metal—the honeycomb borophene oxide (h-B2O). We show that h-B2O is an almost ideal anode material. It has good conductivity before and after Li/Na adsorption, fast ion diffusion with diffusion barrier less than 0.5 eV, low open-circuit voltage (<1 V), and small lattice change (<6.2%) during intercalation. Most remarkably, its theoretical storage capacity is extremely high, reaching up to 2137 mAh · g−1 for Li and 1425 mAh · g−1 for Na. Its Li storage capacity is more than six times higher than graphite (~372 mAh · g−1), and is almost the highest among all 2D materials discovered to date. Our results strongly suggest that 2D h-B2O is an exceedingly promising anode material for both Li- and Na-ion batteries with super high capacity.
