Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Quantifying Transition Voltage Spectroscopy of Molecular Junctions   Transition voltage spectroscopy (TVS) has recently been introduced as a
spectroscopic tool for molecular junctions where it offers the possibility to
probe molecular level energies at relatively low bias voltages. In this work we
perform extensive ab-initio calculations of the non-linear current voltage
relations for a broad class of single-molecule transport junctions in order to
assess the applicability and limitations of TVS. We find, that in order to
fully utilize TVS as a quantitative spectroscopic tool, it is important to
consider asymmetries in the coupling of the molecule to the two electrodes.
When this is taken properly into account, the relation between the transition
voltage and the energy of the molecular orbital closest to the Fermi level
closely follows the trend expected from a simple, analytical model.

2
The categories of this paper are: math
7
The categories of this paper are: hep-th
25
The categories of this paper are: patt-sol
11
The categories of this paper are: hep-lat
10
The categories of this paper are: q-bio
19
The categories of this paper are: eess
31
The categories of this paper are: ao-sci
15
The categories of this paper are: nucl-ex
27
The categories of this paper are: comp-gas
30
The categories of this paper are: q-alg
37
The categories of this paper are: supr-con
18
The categories of this paper are: econ
22
The categories of this paper are: chao-dyn
34
The categories of this paper are: chem-ph
24
The categories of this paper are: dg-ga
29
The categories of this paper are: funct-an