Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Current rectification by simple molecular quantum dots: an ab-initio
  study   We calculate a current rectification by molecules containing a conjugated
molecular group sandwiched between two saturated (insulating) molecular groups
of different length (molecular quantum dot) using an ab-initio non-equilibrium
Green's function method. In particular, we study S-(CH2)m-C10H6-(CH2)n-S
dithiol with Naphthalene as a conjugated central group. The rectification
current ratio ~35 has been observed at m = 2 and n = 10, due to resonant
tunneling through the molecular orbital (MO) closest to the electrode Fermi
level (lowest unoccupied MO in the present case). The rectification is limited
by interference of other conducting orbitals, but can be improved by e.g.
adding an electron withdrawing group to the naphthalene.

5
The categories of this paper are: gr-qc
32
The categories of this paper are: atom-ph
0
The categories of this paper are: hep-ph
15
The categories of this paper are: nucl-ex
10
The categories of this paper are: q-bio
35
The categories of this paper are: mtrl-th
8
The categories of this paper are: hep-ex
24
The categories of this paper are: dg-ga
26
The categories of this paper are: bayes-an
37
The categories of this paper are: supr-con
1
The categories of this paper are: cs
12
The categories of this paper are: nucl-th
34
The categories of this paper are: chem-ph
36
The categories of this paper are: cmp-lg
3
The categories of this paper are: physics
13
The categories of this paper are: quant-ph