Potential of B/Al‐Doped Silicene Electrodes in Na/K‐Ion Batteries

J Zhu, AN Gandi… - Advanced Theory and …, 2018 - Wiley Online Library
J Zhu, AN Gandi, U Schwingenschlögl
Advanced Theory and Simulations, 2018Wiley Online Library
Metal‐ion batteries are key for energy storage in both portable electronics and large‐scale
applications. As the ion capacity of the widely used graphite electrodes is limited, 2D
materials, in particular silicene, are considered for possible replacement. Here, the effects of
B/Al doping on the ion capacity of silicene are studied and it is demonstrated that complex
charge transfer leads to ultra‐high Na capacity. Low Na/K diffusion barriers open potential
for fast charge and discharge.
Abstract
Metal‐ion batteries are key for energy storage in both portable electronics and large‐scale applications. As the ion capacity of the widely used graphite electrodes is limited, 2D materials, in particular silicene, are considered for possible replacement. Here, the effects of B/Al doping on the ion capacity of silicene are studied and it is demonstrated that complex charge transfer leads to ultra‐high Na capacity. Low Na/K diffusion barriers open potential for fast charge and discharge.
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