362 citations · 656 across the 5 of their papers we have counts for
8 papers
Kinetically determined shapes of grain boundaries in CVD graphene
Ksenia V. Bets, Vasilii I. Artyukhov, Boris I. Yakobson
Predicting the shape of grain boundaries is essential to control results of the growth of large graphene crystals. A global energy minimum search predicting the most stable final s…
Can xenon in water inhibit ice growth? Molecular dynamics of phase transitions in waterXe system
Vasilii I. Artyukhov, Alexander Yu. Pulver, Alex Peregudov +1
Motivated by recent experiments showing the promise of noble gases as cryoprotectants, we perform molecular dynamics modeling of phase transitions in water with xenon under cooling…
Why do nanotubes grow chiral?
Vasilii I. Artyukhov, Evgeni S. Penev, Boris I. Yakobson
Carbon nanotubes (CNT) hold enormous technological promise. It can only be harnessed if one controls in a practical way the CNT chirality, the feature of the tubular carbon topolog…
Breaking of symmetry in graphene growth on metal substrates
Vasilii I. Artyukhov, Yufeng Hao, Rodney S. Ruoff +1
In graphene growth, island symmetry can become lower than the intrinsic symmetries of both graphene and the substrate. First-principles calculations and Monte Carlo modeling explai…
Feasibility of Lithium Storage on Graphene and Its Derivatives
Yuanyue Liu, Vasilii I. Artyukhov, Mingjie Liu +2
Nanomaterials are anticipated to be promising storage media, owing to their high surface-to-mass ratio. The high hydrogen capacity achieved by using graphene has reinforced this op…
Carbyne from first principles: Chain of C atoms, a nanorod or a nanorope?
Mingjie Liu, Vasilii I. Artyukhov, Hoonkyung Lee +2
We report an extensive study of the properties of carbyne using first-principles calculations. We investigate carbyne's mechanical response to tension, bending, and torsion deforma…