TPDH-graphene: A new two dimensional metallic carbon with NDR behaviour of its one dimensional derivatives

Tetra-penta-deca-hexagonal-graphene (TPDH-graphene) hydrogenation patterns: dynamics and electronic structure

“…37 These results agree well with those reported by Batthacharya and Jana. 20 The most favorable sites for H adsorption/reaction were investigated by evaluating the binding energy per adsorbed atom, calculated as the energy difference between the hydrogenated structure and its parts:…”

“…The anisotropy of the structure was further investigated by studying TPDH-gr's nanoribbons, which were found to exhibit metallic or semiconductor behavior, depending on the morphology. 20…”

“…The anisotropy of the structure was further investigated by studying TPDH-gr's nanoribbons, which were found to exhibit metallic or semiconductor behavior, depending on the morphology. 20 Similar to graphene, the lack of a band gap restricts the use of these structures. However, chemical functionalizations such as hydrogenation offer a viable method for modifying the properties of graphene-like structures (including opening the electronic gap [21][22][23] or changing the Fermi level position 24 ).…”

“…26 The tailoring of TPDH-graphene's electronic properties by means of functionalization was also emphasized by Bhattacharya and Jana, who specifically highlighted the presence of Dirac features in the TPDH-graphene electronic band structure, requiring further investigation. 20 In this study, we explore the effects of hydrogenation on the electronic and structural properties of TPDH-graphene (TPDH-gr). The hydrogenation of TPDH-gr sheets was investigated through fully atomistic reactive molecular dynamics simulations, and structural optimization, energy, and electronic properties were further analyzed using ab initio (DFT) calculations.…”

A Novel BN Polymorph in P4/mbm Phase with a (4,4) Nanotube

“…Carbon exists widely in nature and can form allotropes [ 1–15 ] in various hybrid ways. As an isoelectronic of carbon, boron nitride also has many polymorphs, [ 16–38 ] it also contains some 2D structures, [ 27,29,32,37 ] we know that 2D materials may have higher electron mobility or hole mobility, which has the advantages that 3D materials do not have.…”