Ontology highlight
ABSTRACT:
SUBMITTER: Wierzbowska M
PROVIDER: S-EPMC5575060 | biostudies-literature | 2017 Aug
REPOSITORIES: biostudies-literature
Scientific reports 20170829 1
The gapless edge states have been found in a 2D molecular system built with light atoms: C,O,H. This prediction is done on the basis of combined density functional theory (DFT) and tight-binding calculations. The system does not exhibit any effect of the spin-orbit coupling (SOC), neither intrinsic nor Rashba type. The band structure and the edge states are tuned with a strength of the p-stacking and O...H interactions. The elementary cell of this noncovalent structure, does not have the 3D inve ...[more]