Molecular adsorption in graphene with divacancy defects
نویسندگان
چکیده
منابع مشابه
Molecular adsorption on graphene.
Current studies addressing the engineering of charge carrier concentration and the electronic band gap in epitaxial graphene using molecular adsorbates are reviewed. The focus here is on interactions between the graphene surface and the adsorbed molecules, including small gas molecules (H(2)O, H(2), O(2), CO, NO(2), NO, and NH(3)), aromatic, and non-aromatic molecules (F4-TCNQ, PTCDA, TPA, Na-N...
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Zigzag graphene nanoribbons have spin-polarized edges, antiferromagnetically coupled in the ground state with total spin zero. Customarily, these ribbons are made ferromagnetic by producing an imbalance between the two sublattices. Here we show that zigzag ribbons can be ferromagnetic due to the presence of reconstructed divacancies near one edge. This effect takes place even though the divacan...
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Graphene sheet including single vacancy, double vacancy and Stone-Wales with armchair and zigzag structure was simulated using molecular dynamics simulation. The effect of defects on shear’s modulus, shear strength and fracture strain was investigated. Results showed that these shear properties reduce when the degrees of all kinds of defects increase. The dangling bond in SV and DV defected gr...
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The phonon density of states (DOS) of graphene with different types of point defects (carbon isotopes, substitution atoms, vacancies) is considered. Using a solvable model which is based on the harmonic approximation and the assumption that the elastic forces act only between nearest neighboring ions we calculate corrections to the graphene DOS dependent on the type and concentration of defects...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2009
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.79.113409