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Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…

Materials Science · Physics 2023-05-23 H. D. Etea , K. N. Nigussa

We have studied the interaction of polyaromatic hydrocarbons (PAHs) with the basal plane of graphite using thermal desorption spectroscopy. Desorption kinetics of benzene, naphthalene, coronene and ovalene at sub-monolayer coverages yield…

Materials Science · Physics 2009-11-10 Renju Zacharia , Hendrik Ulbricht , Tobias Hertel

Electron scattering problem in the monolayer graphene with short-range impurities is considered. The main novel element in the suggested model is the band asymmetry of the defect potential in the 2+1-dimensional Dirac equation. This…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Natalie E. Firsova

The spectrum of two-dimensional (2D) plasma waves in graphene has been recently studied in the Dirac fermion model. We take into account the whole dispersion relation for graphene electrons in the tight binding approximation and the local…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Timur Tudorovskiy , Sergey A. Mikhailov

Electrons in isolated graphene layers are a two-dimensional gas of massless Dirac Fermions. In realistic devices, however, the electronic properties are modified by elastic deformations, interlayer coupling and substrate interaction. Here…

In this work we study theoretically the electronic properties of a sheet of graphene grown on a periodic heterostructure substrate. We write an effective Dirac equation, which includes a dependence of both the band gap and the Fermi…

Materials Science · Physics 2014-11-12 Jonas R. F. Lima , F. Moraes

Hydrogenation has proven to be an effective tool to open the bandgap of graphene. In the present density functional study we demonstrate that single-side-hydrogenated graphene is a semiconductor with an indirect bandgap of 1.89 eV, in…

Materials Science · Physics 2011-03-01 Bhalchandra S. Pujari , Sergey Gusarov , Michael Brett , Andriy Kovalenko

Design and synthesis of novel two-dimensional (2D) materials that possess robust structural stability and unusual physical properties may open up enormous opportunities for device and engineering applications. Herein we propose a 2D…

Materials Science · Physics 2023-11-14 Xiaoran Shi , Weiwei Gao , Hongsheng Liu , Zhen-Guo Fu , Gang Zhang , Yong-Wei Zhang , Junfeng Gao , Jijun Zhao

By bridging graphene and benzene through a well-defined sequence of polycyclic aromatic hydrocarbons and their inherent shell structure, J. Phys. Chem. C, 2018, 122, 17526, it is shown that graphene is actually a coherent arrangement of…

Chemical Physics · Physics 2020-07-01 Aristides D. Zdetsis

We introduce two-dimensional borane, a single-layered material of BH stoichiometry, with promising electronic properties. We show that, according to Density Functional Theory calculations, two-dimensional borane is semimetallic, with two…

Materials Science · Physics 2017-12-01 Miguel Martinez-Canales , Timur R. Galeev , Alexander I. Boldyrev , Chris J. Pickard

The electromagnetic response of graphene, expressed by the dielectric function, and the spectrum of collective excitations are studied as a function of wave vector and frequency. Our calculation is based on the full band structure,…

Strongly Correlated Electrons · Physics 2009-09-03 A. Hill , S. A. Mikhailov , K. Ziegler

The plasmonic character of monolayer silicene is investigated by time-dependent density functional theory in the random phase approximation. The energy-loss function of the system is analyzed, with particular reference to its induced…

Strongly Correlated Electrons · Physics 2017-02-17 C. Vacacela Gomez , M. Pisarra , M. Gravina , P. Riccardi , A. Sindona

The Dirac-like quasiparticles in honeycomb graphene lattice are taken to possess a non-zero effective mass. The charge carriers involve to interact with a femtosecond strong laser pulse. Due to the scattering time of electrons in graphene…

Mesoscale and Nanoscale Physics · Physics 2017-01-31 Z. Ahmadi , H. Goudarzi , A. Jafari

Electrons and holes in clean, charge-neutral graphene behave like a strongly coupled relativistic liquid. The thermo-electric transport properties of the interacting Dirac quasiparticles are rather special, being constrained by an emergent…

Strongly Correlated Electrons · Physics 2017-08-23 Markus Mueller , Lars Fritz , Subir Sachdev , Joerg Schmalian

The electron-hole plasma in charge-neutral graphene is predicted to realize a quantum critical system whose transport features a universal hydrodynamic description, even at room temperature. This quantum critical "Dirac fluid" is expected…

Intercalation of epitaxial graphene on SiC(0001) with Sn results in a well-ordered Sn $(1\times1)$ structure on the SiC surface with quasi-freestanding graphene on top. While the electronic properties of the individual layers have been…

We study how low-energy charge carriers scatter off periodic and linear graphene grain boundaries oriented along the zigzag direction with a periodicity three times greater than that of pristine graphene. These defects map the two Dirac…

Mesoscale and Nanoscale Physics · Physics 2016-10-25 J. N. B. Rodrigues

After the discovery of graphene and its many fascinating properties, there has been a growing interest for the study of "artificial graphenes". These are totally different and novel systems which bear exciting similarities with graphene.…

Mesoscale and Nanoscale Physics · Physics 2019-06-20 Gilles Montambaux

Recent studies show that periodic potentials can generate superlattice Dirac points at energies in graphene (is the Fermi velocity of graphene and G is the reciprocal superlattice vector). Here, we perform scanning tunneling microscopy and…

Mesoscale and Nanoscale Physics · Physics 2013-02-21 Hui Yan , Zhao-Dong Chu , Wei Yan , Mengxi Liu , Lan Meng , Mudan Yang , Yide Fan , Jiang Wang , Rui-Fen Dou , Yanfeng Zhang , Zhongfan Liu , Jia-Cai Nie , Lin He

Graphene+, a novel carbon monolayer with sp2-sp3 hybridization, is recently reported to exhibit graphene-like Dirac properties and unprecedented out-of-plane half-auxetic behavior [Yu et al, Cell Reports Physical Science, 3 100790 (2022)].…

Materials Science · Physics 2022-10-26 Linfeng Yu , Ailing Chen , Xiaoxia Wang , Huimin Wang , Zhenzhen Qin , Guangzhao Qin