Properties of graphene: a theoretical perspective
The electronic properties of graphene, a two-dimensional crystal of carbon atoms, are
exceptionally novel. For instance, the low-energy quasiparticles in graphene behave as …
exceptionally novel. For instance, the low-energy quasiparticles in graphene behave as …
Emerging chemical strategies for imprinting magnetism in graphene and related 2D materials for spintronic and biomedical applications
J Tuček, P Błoński, J Ugolotti, AK Swain… - Chemical Society …, 2018 - pubs.rsc.org
Graphene, a single two-dimensional sheet of carbon atoms with an arrangement mimicking
the honeycomb hexagonal architecture, has captured immense interest of the scientific …
the honeycomb hexagonal architecture, has captured immense interest of the scientific …
Electronic states of graphene nanoribbons and analytical solutions
Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are
described by the massless Dirac fermion. The orientation of the graphene edge determines …
described by the massless Dirac fermion. The orientation of the graphene edge determines …
Properties and applications of quantum dots derived from two-dimensional materials
Quantum dots based on two-dimensional materials (2D-QDs) have received significant
attention due to their exceptional physical, chemical, and biological properties. They have …
attention due to their exceptional physical, chemical, and biological properties. They have …
Chemical functionalization of graphene with defects
Defects change essentially not only the electronic properties but also the chemical
properties of graphene, being centers of its chemical activity. Their functionalization is a way …
properties of graphene, being centers of its chemical activity. Their functionalization is a way …
Novel properties of graphene nanoribbons: a review
Low-dimensional materials are of great interest to both theorists and experimentalists, owing
to their novel electronic properties which arise mainly because of a host of quantum …
to their novel electronic properties which arise mainly because of a host of quantum …
Half-metallicity in edge-modified zigzag graphene nanoribbons
Graphene is an important material with potential application in spintronics. Edge-modified
zigzag graphene nanoribbons (ZGNR) are investigated with density functional theory. The …
zigzag graphene nanoribbons (ZGNR) are investigated with density functional theory. The …
Recent highlights and perspectives on acene based molecules and materials
Q Ye, C Chi - Chemistry of Materials, 2014 - ACS Publications
Acenes represent a series of molecules with intriguing physical and chemical properties for
applications in organic electronics. Nevertheless, the stability and solubility issues …
applications in organic electronics. Nevertheless, the stability and solubility issues …
Graphite and hexagonal boron-nitride have the same interlayer distance. Why?
O Hod - Journal of chemical theory and computation, 2012 - ACS Publications
Graphite and hexagonal boron nitride (h-BN) are two prominent members of the family of
layered materials possessing a hexagonal lattice structure. While graphite has nonpolar …
layered materials possessing a hexagonal lattice structure. While graphite has nonpolar …
Screened hybrid density functionals for solid-state chemistry and physics
Density functional theory incorporating hybrid exchange–correlation functionals has been
extraordinarily successful in providing accurate, computationally tractable treatments of …
extraordinarily successful in providing accurate, computationally tractable treatments of …