362 citations · 362 across the 1 of their papers we have counts for
3 papers
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…
Mechanically induced metal-insulator transition in carbyne
Vasilii I. Artyukhov, Mingjie Liu, Boris I. Yakobson
First-principles calculations for carbyne under strain predict that the Peierls transition from symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material…