First-principles study on the two-dimensional siligene (2D SiGe) as an anode material of an alkali metal ion battery

Computational Materials Science(2019)

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摘要
•2D SiGe presents low diffusion energy barriers and high storage capacities for Na- and K-ion batteries.•Average open circuit voltages of 2D SiGe are in the range of 0.78–1.15 V.•2D SiGe possesses a Dirac cone-shape band structure.
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关键词
Alkali metal ion battery,Density functional theory,Two-dimensional materials,Siligene,Storage capacity,Voltage
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