An effective method of tuning conducting properties: First-principles studies on electronic structures of graphene nanomeshes

Silicene nanomeshes: bandgap opening by bond symmetry breaking and uniaxial strain

“…Such antidot would however not change the semimetal nature of the other nanomeshes which are still less of investigations. Actually, the π-like band splitting also happens in such nanomeshes, which is however missed in the previous studies 19 20 21 22 . In this paper, we would show that such band splitting can also transfer the nanomesh to be semiconducting at the aid of strain.…”

“…For the 3 p + 1 and 3 p + 2 type silicene superlattices, the defect can also induce band splitting phenomena. The inversion symmetry preserved (ISP) defect has been found to open bandgap in the 3 p silicene nanomeshes, which would however not alter the conducting properties of the 3 p + 1 and 3 p + 2 nanomeshes 19 20 21 22 . The periodically arranged defects would impose new Born von Karman boundary conditions on silience to make it into superlattice 24 25 , which have been introduced in by the modulation of the Bravais lattice.…”

“…These progresses have paved the way for studying its peculiar properties and potential applications. Besides the studies on the synthesis of silicene, the structural defect in silicene has also attracted much attention in view of the property modulation 13 14 15 16 17 18 19 20 21 22 . Several theoretical studies have been devoted on investigating the geometrical structures and modification on silicene’s properties of single and double vacancy defects.…”

“…Considering the experimental advances in patterning two-dimensional materials by regularly arranging vacancy antidots to fabricate nanomeshes 23 , the effects of vacancy hole on bandgap opening in silicene has been analyzed in detail 19 20 21 22 . A bandgap engineering mechanism–degenerate perturbation which is different to the sublattice equivalence breaking has been proposed.…”

New carbon allotropes with metallic conducting properties: a first-principles prediction

“…79 In the ideal pristine graphene, the p z electrons would be bound in the conjugate p-bonds making the graphene to some sense inert, whose reactivity could be enhanced by the structural defect, chemical modication, bending curvature, and tensile strain, etc. [80][81][82][83][84] Compared with the graphene, the sp 2 hybridization in phographene is perturbed, which may in turn also affect the reactivity. Hereaer, with the purpose to facilitate discussion and considering the above discussion on the structural growth, we would like to take the a-phographene as the prototype structure for examining the topologically enhanced reactivity.…”