Two dimensional twin T-graphene: monolayer for visible-light photocatalytic water splitting and bulk for anode material of magnesium batteries.

Two-dimensional (2D) carbon allotropes with all-sp-hybridization have demonstrated great potential in nano-photoelectric devices, but the application of semiconductor photocatalysts for water splitting and anodes in magnesium batteries remains unoptimistic. Motivated by this, we theoretically study a highly stable all-sp-hybridized 2D carbon allotrope twin T-graphene (TTG) first-principles simulations. And through the calculations of the HSE06 functional, we find that TTG has a wide bandgap (2.