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A rate equation method for the sequential double ionisation, including autoionising state excitation, of a noble gas

100%
Middleton D., Tejaswi K., Nikolopoulos L.
Open Physics
|
2013
|
vol. 11
|
issue 9
1082-1090
EN
A set of rate equations have been tested against a more robust set of Time-Dependent Density Matrix (TDDM) equations [D. P. W. Middleton, L. A. A. Nikolopoulos, J. Mod. Opti. 59, 1650 (2012)] by using them to determine the populations of ion species and autoionising states (AIS) in noble gas atoms when interacting with a strong external field. Two field shapes were tested here - sinusoidal and square - and a variety of pulse characteristics were examined, i.e. intensity, duration and photon energy, for the neon atomic system. It was found that the rate equations were sufficiently accurate only when the external field is way off-resonant with the AIS. Moreover, analytical solutions of the rate equations in the square pulse case agree with the numerical solutions for a time-dependent pulse containing many cycles. An attempt to model a stochastic field was also made and it was found that the use of such a field diminished and broadened the ion yield ratio due to the presence of an added bandwidth.
2
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Coulomb blockade in molecular quantum dots

72%
Walczak K.
Open Physics
|
2006
|
vol. 4
|
issue 1
8-19
EN
The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.
3
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Rate-equation calculations of the current flow through two-site molecular device and DNA-based junction

72%
Walczak K.
|
EN
Here we present the calculations of incoherent current flowing through the two-site molecular device as well as the DNA-based junction within the rate-equation approach. Selected phenomena of interest are discussed in detail. The structural asymmetry of a two-site molecule results in a rectification effect, which can be neutralized by an asymmetric voltage drop at the molecule-metal contacts due to coupling asymmetry. The results received for the poly(dG)-poly(dC) DNA molecule reveal the coupling-and temperature-independent saturation effect of the current at high voltages, establishing for short chains the inverse square distance dependence. Additionally we document the conductance peak shifting in the direction of higher voltages due to a temperature decrease.
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