Promising two-dimensional T-silicene as high capacity anode for rechargeable lithium-ion and sodium-ion batteries

First principles investigation on Na-ion storage in two-dimensional boron-rich B2N, B3N, and B5N

“…A similar choice of working with monolayers has been widely employed in other 2D electrode systems. 21–24…”

“…A similar choice of working with monolayers has been widely employed in other 2D electrode systems. [21][22][23][24] 3.2 Adsorption of a single Na-atom on the B x N monolayer…”

“…During the last decade, much theoretical and experimental attention has been paid to two-dimensional (2D) materials given their high specific surface area (which could reserve more metal ions), excellent mechanical properties (which can prevent damage to the electrode), and abundant ion insertion channels (which can facilitate ion migration). [16][17][18][19][20] Consequently, many emerging 2D materials, such as graphene, 21 germanene, 22 silicene, 23 MXenes, 24 transition metal dichalcogenides (TMDCs), 25 and their derivatives, 26,27 have been extensively investigated as potential electrode materials. Nevertheless, most of the reported 2D materials a College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, China.…”

Adsorption and Migration of a Single Lithium on Tetra‐Penta‐Hepta‐Graphene Nanoribbon: a Density Functional Theory Approach

“…The TPH‐GNR is a metal that shows no bandgap, as previously mentioned by Li et al [ 29 ] After Li adsorption, the TPH‐GNR still shows metallic behavior, which makes it feasible to be used as electrode material in LIBs. [ 43 ]…”

Recent progress in emergent two-dimensional silicene

“…118 Several years later, Wu et al used first-principles calculations to explore the possibility of using T-silicene as an anode material in lithium-ion batteries and sodium-ion batteries for the first time. 119 They calculated and identified that T-silicene is thermally stable at 300 K, and then demonstrated that T-silicene has suitable storage capacity, good electric conductivity with an average open-circuit voltage as low as 0.173/0.192 V for Li/Na, and a low diffusion barrier. In general, exploring new advanced 2D electrode materials with high quantum capacitance ( C Q ) is of particular importance.…”