Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …

With the advance of nanotechnology, a variety of molecules, from single atoms to large-
scale structures such as graphene or carbon nanotubes, have been investigated for …

Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments.
Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a …

We describe an ab initio method for calculating the electronic structure, electronic transport,
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …

Nanotechnology, science, and engineering spearhead the 21st century revolution that is
leading to fundamental breakthroughs in the way materials, devices, and systems are …

We report first-principles studies of electronic transport and rectification in molecular wires
attached to gold electrodes. Our ab initio calculation gives an accurate description of the …

We present an atomistic theory of electronic transport through single organic molecules that
reproduces the important features of the current-voltage (I− V) characteristics observed in …

It is generally accepted that spin-dependent electron transmission may appear in chiral
systems, even without magnetic components, as long as significant spin–orbit coupling is …

Spin–orbit coupling gives rise to a range of spin-charge interconversion phenomena in
nonmagnetic systems where certain spatial symmetries are reduced or absent. Chirality …

A systematic analysis of electron transport characteristics for 1D heterojunctions with two
nitrogen‐doped (N‐doped) capped carbon nanotubes (CNTs) facing one another at different …