Ontology highlight
ABSTRACT:
SUBMITTER: Klos J
PROVIDER: S-EPMC5555747 | biostudies-literature | 2016 Dec
REPOSITORIES: biostudies-literature
Kłos Jacek J Kim Mijin M Alexander Millard H MH Wang YuHuang Y
The journal of physical chemistry. C, Nanomaterials and interfaces 20161207 51
The optical and electronic properties of atomically thin materials such as single-walled carbon nanotubes and graphene are sensitively influenced by substrates, the degree of aggregation, and the chemical environment. However, it has been experimentally challenging to determine the origin and quantify these effects. Here we use time-dependent density-functional-theory calculations to simulate these properties for well-defined molecular systems. We investigate a series of core-shell structures co ...[more]