Trap effects on vacancy defect of C3N as anode material in Li-ion battery

Applied Surface Science(2019)

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摘要
•The ultrahigh stiffness, good conductivity and excellent Li migration capability of C3N.•The adsorption and diffusion mechanisms of Li in pristine and defect-containing C3N.•The trap effect in defect-containing C3N.
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关键词
C3N,First principles calculations,Defect effect,Migration mechanism,Li ion battery
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