346 citations · 4.4k across the 109 of their papers we have counts for
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Contact Dependence of Carrier Injection in Carbon Nanotubes: An Ab Initio Study
N. Nemec, D. Tomanek, G. Cuniberti
We combine ab initio density functional theory with transport calculations to provide a microscopic basis for distinguishing between good and poor metal contacts to nanotubes. Comp…
From a local Green function to molecular charge transport
M. Albrecht, A. Schnurpfeil, G. Cuniberti
A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact di…
Nonequilibrium excitations of molecular vibrons
D. A. Ryndyk, M. Hartung, G. Cuniberti
We consider the nonequilibrium quantum vibrations of a molecule clamped between two macroscopic leads in a current-carrying state at finite voltages. Our approach is based on the n…
Electron transport in carbon nanotube-metal systems: contact effects
N. Ranjan, R. Gutierrez-Laliga, S. Krompiewski +1
Carbon nanotubes (CNT) have a very large application potential in the rapid developing field of molecular electronics. Infinite single-wall metallic CNTs have theoretically a condu…
Filament depolymerization by motor molecules
Gernot A. Klein, Karsten Kruse, Gianaurelio Cuniberti +1
Motor proteins that specifically interact with the ends of cytoskeletal filaments can induce filament depolymerization. A phenomenological description of this process is presented.…