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Effect of Metal Element in Catalytic Growth of Carbon Nanotubes
Oleg V. Yazyev, Alfredo Pasquarello
Using first principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late transition (Ni, Pd, Pt) and coinage (Cu,…
Magnetism in Disordered Graphene and Irradiated Graphite
Oleg V. Yazyev
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations.…
Magnetic Correlations at Graphene Edges
Oleg V. Yazyev, M. I. Katsnelson
Magnetic zigzag edges of graphene are considered as a basis for novel spintronics devices despite the fact that no true long-range magnetic order is possible in one dimension. We s…
Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study
Oleg V. Yazyev, Ivano Tavernelli, Ursula Rothlisberger +1
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using fi…
Hyperfine Interactions in Graphene and Related Carbon Nanostructures
Oleg V. Yazyev
Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accura…