Ontology highlight
ABSTRACT:
SUBMITTER: Cai X
PROVIDER: S-EPMC6213067 | biostudies-literature | 2018 Oct
REPOSITORIES: biostudies-literature
Materials (Basel, Switzerland) 20181011 10
On the basis of density functional theory (DFT) calculations, we propose a stable two-dimensional (2D) monolayer phosphorus carbide (PC) with a GaSe-like structure, which has intriguing electronic and optical properties. Our calculated results show that this 2D monolayer structure is more stable than the other allotropes predicted by Tománek et al. [<i>Nano Lett., 2016, 16, 3247⁻3252</i>]. More importantly, this structure exhibits superb optical absorption, which can be mainly attributed to its ...[more]