posted on 2023-01-06, 03:13authored byImran Muhammad, Shehzad Ahmed, Hao Cao, Asif Mahmood, Yang-Gang Wang
In the pursuit of renewable energy storage technologies,
ion batteries
are intended to play a decisive role in accomplishing the energy requirements
of the modern world. Herein, we theoretically designed porous three-dimensional
(3D) allotropes of silicene (termed 3D-ortho-silicene and 3D-monosilicene); these new 3D-silicenes exhibit stable structures, high porosities, conductive natures,
and the high uptake of monovalent and multivalent ions. Owing to the
unique 3D porous inner skeleton, small mass density, and inherent
conductivity, both 3D-ortho-silicene and 3D-monosilicene materials indicate marvelous potential as anode
materials. Importantly, 3D porous silicene structures
exhibit high theoretical capacities in the range 718–1117 mAh
g–1 with high average potentials and extremely low
volume expansion during the charge and discharge processes for lithium
and calcium ions. This contribution not only expands the family of
3D-silicene allotropes but also predicts their electrochemical
performances for ion batteries.