Abstract
Identifying applicable anode materials is a significant task for Li- and Na-ion battery (LIB and NIB) technologies. We propose the GaN monolayer (2D GaN) can be a good anode candidate. The GaN monolayer manifests stable Li/Na adsorption and inherently low theoretical voltages. Most excitingly, both high storage capacity and extremely fast Li/Na diffusion can be simultaneously realized in the GaN monolayer. For Li, the storage capacity and diffusion barrier is 938 mA h g-1 and 80 meV , respectively. And the values for Na are 625 mA h g-1 and 22 meV. Comparing with known 2D anode materials with similar scale of ion diffusion barriers, the GaN monolayer almost possesses the highest Li/Na storage capacity discovered to date. Our work suggests that the 2D GaN is a prospective anode material offering fast ion diffusion and high storage capacity.
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URL
https://arxiv.org/abs/1812.10610