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 …

Chemical functionalization of graphene

DW Boukhvalov, MI Katsnelson - Journal of Physics: Condensed …, 2009‏ - iopscience.iop.org
Experimental and theoretical results on chemical functionalization of graphene are
reviewed. Using hydrogenated graphene as a model system, general principles of the …

Strain effect on electronic structures of graphene nanoribbons: A first-principles study

L Sun, Q Li, H Ren, H Su, QW Shi… - The Journal of chemical …, 2008‏ - pubs.aip.org
We report a first-principles study on the electronic structures of deformed graphene
nanoribbons (GNRs). Our theoretical results show that the electronic properties of zigzag …

Defect-dependent corrugation in graphene

FL Thiemann, P Rowe, A Zen, EA Muller… - Nano Letters, 2021‏ - ACS Publications
Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its
electronic, mechanical, and chemical properties. Experimental techniques allow the …

Symmetry-induced band-gap opening in graphene superlattices

R Martinazzo, S Casolo, GF Tantardini - Physical Review B—Condensed …, 2010‏ - APS
We study n× n honeycomb superlattices of defects in graphene. The considered defects are
missing pz orbitals and can be realized by either introducing C atom vacancies or …

Electronic and vibrational signatures of Stone-Wales defects in graphene: First-principles analysis

SN Shirodkar, UV Waghmare - Physical Review B—Condensed Matter and …, 2012‏ - APS
We identify electronic and vibrational signatures of Stone-Wales (SW) defects in graphene
as a function of their concentration using first-principles calculations. We show that an array …

Valley polarization due to trigonal war** on tunneling electrons in graphene

JM Pereira, FM Peeters, RN Costa Filho… - Journal of Physics …, 2008‏ - iopscience.iop.org
The effect of trigonal war** on the transmission of electrons tunneling through potential
barriers in graphene is investigated. We present calculations of the transmission coefficient …

Magnetic barriers in graphene nanoribbons: Theoretical study of transport properties

H Xu, T Heinzel, M Evaldsson, IV Zozoulenko - Physical Review B …, 2008‏ - APS
A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons
with a magnetic barrier on top is presented. The magnetic barrier modifies the energy …

Edge disorder and localization regimes in bilayer graphene nanoribbons

H Xu, T Heinzel, IV Zozoulenko - Physical Review B—Condensed Matter and …, 2009‏ - APS
A theoretical study of the magnetoelectronic properties of zigzag and armchair bilayer
graphene nanoribbons (BGNs) is presented. Using the recursive Green's function method …

Resonant transport in Kekulé-distorted graphene nanoribbons

E Andrade, R Carrillo-Bastos, PA Pantaleón… - Journal of Applied …, 2020‏ - pubs.aip.org
The formation of a superlattice in graphene can serve as a way to modify its electronic band
structure and thus to engineer its electronic transport properties. Recent experiments have …