Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: End group effect on electrical transport through individual molecules: A
  microscopic study   The effect on molecular transport due to chemical modification of the
metal-molecule interface is investigated, using as an example the prototypical
molecular device formed by attaching a p-disubstituted benzene molecule onto
two gold electrodes through chemically different end groups. Using a
first-principles based self-consistent matrix Green's function method, we find
that depending on the end group, transport through the molecule can be mediated
by either near-resonant-tunneling or off-resonant-tunneling and the conductance
of the molecule varies over more than two orders of magnitude. Despite the
symmetric device structure of all the molecules studied, the applied bias
voltage can be dropped either equally between the two metal-molecule contacts
or mostly across the source (electron-injecting) contact depending on the
potential landscape across the molecular junction at equilibrium.

33
The categories of this paper are: plasm-ph
17
The categories of this paper are: q-fin
28
The categories of this paper are: alg-geom
0
The categories of this paper are: hep-ph
16
The categories of this paper are: stat
19
The categories of this paper are: eess
25
The categories of this paper are: patt-sol
37
The categories of this paper are: supr-con
10
The categories of this paper are: q-bio
35
The categories of this paper are: mtrl-th
22
The categories of this paper are: chao-dyn
7
The categories of this paper are: hep-th
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
15
The categories of this paper are: nucl-ex
14
The categories of this paper are: math-ph