A DFT study on AlN nanotubes and nanosheets as anodes for Mg-ion batteries

A Density Functional Theory Study on Rechargeable Mg‐ion Batteries: C20 Fullerene as a Promising Anode Material

“…These results show that Mg 2+ on C 20 fullerene structure can achieve high‐speed charge and discharge rates with its high ion mobility. The D values of magnesium on various AlNNTs are reported in the range of 1.5×10 −3 and 2.41×10 −17 [16] …”

“…The D values of magnesium on various AlNNTs are reported in the range of 1.5 × 10 À 3 and 2.41 × 10 À 17 . [16]…”

“…They found that Mg 2 + adsorption on nanotubes was the most stable, but the voltage of the nanocone as the electrode of MIBs was highest. [16] In the literature, phosphorene, graphene, GaS, C 24 N 24 , AlN nanotube and nanosheet, Si 2 BN, Mo 2 C, B 40 , carbon nanotube, MgÀ Sn alloy and Mo 2 B monolayer have been evaluated as anode materials for MIB. [5,[16][17][18][19][20][21][22][23][24][25][26] The C 20 fullerene molecule having a dodecahedral cage-structure is the smallest member of the fullerene family.…”

“…calculated the adsorption properties of Mg and Mg 2+ on nanolattices, nanotubes, nanolayers and C 60 fullerene. They found that Mg 2+ adsorption on nanotubes was the most stable, but the voltage of the nanocone as the electrode of MIBs was highest [16] . In the literature, phosphorene, graphene, GaS, C 24 N 24 , AlN nanotube and nanosheet, Si 2 BN, Mo 2 C, B 40 , carbon nanotube, Mg−Sn alloy and Mo 2 B monolayer have been evaluated as anode materials for MIB [5,16–26] .…”

“…[16] In the literature, phosphorene, graphene, GaS, C 24 N 24 , AlN nanotube and nanosheet, Si 2 BN, Mo 2 C, B 40 , carbon nanotube, MgÀ Sn alloy and Mo 2 B monolayer have been evaluated as anode materials for MIB. [5,[16][17][18][19][20][21][22][23][24][25][26] The C 20 fullerene molecule having a dodecahedral cage-structure is the smallest member of the fullerene family. [27] C 20 fullerene structure is also the subject of several experimental and theoretical researches.…”