First-principles study on the two-dimensional siligene (2D SiGe) as an anode material of an alkali metal ion battery
Computational Materials Science(2019)
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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