Spintronics holds the promise for future information technologies. Devices based on
manipulation of spin are most likely to replace the current silicon complementary metal …

Linear, sp-hybridised, 1-dimensional (1D) all-carbon wires are conceptually the simplest π-
conjugated organic molecules. Their fundamental experimental and theoretical properties …

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 …

By using nonequilibrium Green's functions in combination with the density functional theory,
we investigate the electronic transport properties of edge hydrogenated zigzag-edged …

Long, stable, and free-standing linear atomic carbon wires (carbon chains) have been
carved out from graphene recently [Meyer et al. Nature (London) 2008, 454, 319; Jin et al …

Linear carbon chains (LCCs) are a one-dimensional sp 1-hybridized allotrope of carbon.
LCCs are extremely unstable: The longer the LCCs, the less stable the materials. Thus, it is …

First-principles and non-equilibrium Green's function approaches are used to predict spin-
polarized electronic transport in monatomic carbon chains covalently connected to …

Atomic-scale fabrication is an outstanding challenge and overarching goal for the
nanoscience community. The practical implementation of moving and fixing atoms to a …

Using nonequilibrium Green's function method combined with density functional theory we
report bipolar spin diode behavior in zigzag graphene nanoribbons (ZGNRs). Nearly±100 …

We present ab initio calculations for spin-dependent electron transport in a molecular device
constructed by two carbon chains capped with a phenyl ring, which is sandwiched between …