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

Abstract

Twin T-graphene has great potential in overall photocatalytic water splitting and as the anode material of magnesium batteries.

First-Principles Study of Twin 4–8 Graphene in Carbon and Boron Nitride Nanostructures: Implications for Mechanical and Optoelectronic Nanodevices

“…Thus, constructing a monolayer sheet into a twin structure often results in opening a band gap. For instance, graphene and T-graphene are semimetals, while twin graphene and twin T-graphene are semiconductors with band gaps of 0.73–0.98 and 1.79–2.70 eV, respectively. − , Therefore, the electronic properties can change significantly when two monolayer sheets are combined to form a twin structure. In the present study, twin 4–8 graphene exhibits electronic behavior which is distinct from T-graphene.…”

Theoretical perspective on the electronic, magnetic and thermodynamic properties of T-graphene: the tight-binding approach

“…Previous investigations believed that the honeycomb lattice was required to create Dirac cones.But new scienti c attitudes and studies evaluated the development of Dirac cones in new 2D structures, which rejected the existence of Dirac cones just in honeycomb lattices 9 .Therefore, new ndings showed that allotropes [10][11][12][13] such as E-graphene, Tgraphene, S-graphene, graphyne, D-graphene, etc. with non-hexagonal lattices have SP 2 hybridization and are thermodynamically stable, as well as the condition of existence satisfy the Dirac cones.T-graphene or tetragonal with high Fermi velocity and unique mechanical properties as well as special potential in hydrogen storage has attracted special attention.Studies on the electronic, geometrical, and physical properties of T-graphene show that this form of carbon with low density, outstanding intrinsic electronic properties, and unique structural stability is a very suitable candidate for use in making electrodes, photocatalysts [14][15][16][17] , etc. On the other hand, it has been found that the thermodynamic stability of Tgraphene is more signi cant than other 2D graphene allotropes.…”

Twin Irida Graphene: A Carbon Material with Optoelectronic Features

“…Recently, a class of 2D carbon materials like bilayers of graphene and graphyne sheets has been introduced. [44,[46][47][48][49] In these sheets named twin graphene and twin graphyne sheets, one layer is conjoined with another. The thermal and dynamical stability of twin graphene sheets are carefully verified.…”

“…[41,44,48] The interesting properties suggest that twin sheets can be attractive materials for use in semiconductor photocatalytic, battery field, mechanical, and optoelectronic nanodevices. [44,48,49,51,54,55] A new twin sheet named twin irida graphene is proposed and investigated in the current study. Calculations based on density functional theory (DFT) are used to examine its structural, mechanical, electronic, and optical properties.…”