Preparation of coronene nanowires and its properties
Sign Up to like & getrecommendations! Published in 2017 at "Materials Letters"
DOI: 10.1016/j.matlet.2017.05.137
Abstract: Abstract In this study we have deposited coronene nanowires onto glass substrates with thicknesses of 80 nm by means of Physical Vapor Deposition (PVD) method and investigated the optical properties of these films. Several parameters such… read more here.
Keywords: nanowires properties; energy; coronene nanowires; preparation coronene ... See more keywords
Modeling Coronene Nanostructures: Analytical Potential, Stable Configurations and Ab Initio Energies
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b03691
Abstract: Coronene is one of the basic polycyclic aromatic hydrocarbons (PAHs) used to test the reliabilty of a multidimensional potential energy surface (PES) and to assess its influence on the formation dynamics of PAH clusters with… read more here.
Keywords: potential stable; analytical potential; coronene nanostructures; nanostructures analytical ... See more keywords
Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene
Sign Up to like & getrecommendations! Published in 2018 at "Materials Chemistry Frontiers"
DOI: 10.1039/c8qm00112j
Abstract: Single crystals of three neutral charge-transfer complexes and a cation radical salt based on a C2v-symmetric polycyclic aromatic hydrocarbon, benzo[ghi]perylene (bper), were obtained. The 1 : 1 complex with 7,7,8,8-tetracyanoquinodimethane (TCNQ) involves DA-type alternating π-columns, whereas the… read more here.
Keywords: transfer complexes; charge transfer; coronene; bper ... See more keywords
Correlated Electronic Properties of a Graphene Nanoflake: Coronene
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24040730
Abstract: We report studies of the correlated excited states of coronene and substituted coronene within the Pariser–Parr–Pople (PPP) correlated π-electron model employing the symmetry-adapted density matrix renormalization group technique. These polynuclear aromatic hydrocarbons can be considered… read more here.
Keywords: correlated electronic; electronic properties; properties graphene; graphene nanoflake ... See more keywords
Continuum Modelling for Interacting Coronene Molecules with a Carbon Nanotube
Sign Up to like & getrecommendations! Published in 2020 at "Nanomaterials"
DOI: 10.3390/nano10010152
Abstract: The production of single dimensional carbon structures has recently been made easier using carbon nanotubes. We consider here encapsulated coronene molecules, which are flat and circular-shaped polycyclic aromatic hydrocarbons, inside carbon nanotubes. Depending on the… read more here.
Keywords: coronene; carbon nanotube; continuum modelling; coronene molecules ... See more keywords