Ontology highlight
ABSTRACT:
SUBMITTER: Nulakani NVR
PROVIDER: S-EPMC6645104 | biostudies-literature | 2017 Oct
REPOSITORIES: biostudies-literature
ACS omega 20171017 10
In the present investigation, we have proposed a novel form of two-dimensional (2D) carbon allotropes with the aid of first-principle density functional theory-based calculations. The carbon polymorph is mainly composed of carbon pentagons (cp) and acetylenic linkers and hence named cp-graphyne. This 2D material is energetically more preferable than the rest of the semimetals of graphyne family, including graphdiyne monolayer. Close inspection of lattice dynamics and thermal and mechanical prope ...[more]