Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Microscopic study of electrical transport through individual molecules
  with metallic contacts: II. Effect of the interface structure   We investigate the effect on molecular transport due to the different
structural aspects of metal-molecule interfaces. The example system chosen is
the prototypical molecular device formed by sandwiching the phenyl dithiolate
molecule (PDT) between two gold electrodes with different metal-molecule
distance, atomic structure at the metallic surface, molecular adsorption
geometry and with an additional hydrogen end atom. We find the dependence of
the conductance on the metal-molecule interface structure is determined by the
competition between the modified metal-molecule coupling and the corresponding
modified energy level lineup at the molecular junction. The results of the
detailed microscopic calculation can all be understood qualitatively from the
equilibrium energy level lineup and the knowledge of the voltage drop across
the molecular junction at finite bias voltages.

2
The categories of this paper are: math
30
The categories of this paper are: q-alg
24
The categories of this paper are: dg-ga
29
The categories of this paper are: funct-an
18
The categories of this paper are: econ
7
The categories of this paper are: hep-th
32
The categories of this paper are: atom-ph
10
The categories of this paper are: q-bio
17
The categories of this paper are: q-fin
13
The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
15
The categories of this paper are: nucl-ex
20
The categories of this paper are: acc-phys
21
The categories of this paper are: adap-org
36
The categories of this paper are: cmp-lg
33
The categories of this paper are: plasm-ph