Properties of graphene: a theoretical perspective

DSL Abergel, V Apalkov, J Berashevich… - Advances in …, 2010 - Taylor & Francis
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 …

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 …

Electronic states of graphene nanoribbons and analytical solutions

K Wakabayashi, K Sasaki, T Nakanishi… - … and technology of …, 2010 - iopscience.iop.org
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 …

Properties and applications of quantum dots derived from two-dimensional materials

H Abdelsalam, QF Zhang - Advances in Physics: X, 2022 - Taylor & Francis
Quantum dots based on two-dimensional materials (2D-QDs) have received significant
attention due to their exceptional physical, chemical, and biological properties. They have …

Chemical functionalization of graphene with defects

DW Boukhvalov, MI Katsnelson - Nano letters, 2008 - ACS Publications
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 …

Novel properties of graphene nanoribbons: a review

S Dutta, SK Pati - Journal of Materials Chemistry, 2010 - pubs.rsc.org
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 …

Half-metallicity in edge-modified zigzag graphene nanoribbons

E Kan, Z Li, J Yang, JG Hou - Journal of the American Chemical …, 2008 - ACS Publications
Graphene is an important material with potential application in spintronics. Edge-modified
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 …

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 …

Screened hybrid density functionals for solid-state chemistry and physics

BG Janesko, TM Henderson… - Physical Chemistry …, 2009 - pubs.rsc.org
Density functional theory incorporating hybrid exchange–correlation functionals has been
extraordinarily successful in providing accurate, computationally tractable treatments of …