Electronic properties of nanotube-based sensors: An inverse modeling approachC. G. Rocha, A. Wall and M. S. Ferreira
School of Physics, Trinity College Dublin - Dublin 2, Ireland, EU
received 4 January 2008; accepted in final form 5 March 2008; published April 2008
published online 11 April 2008
Nanotube-based sensors depend on significant conductivity changes induced by doping. Predictions of which impurity/nanotube combination provides efficient sensor characteristics are usually made on a case-by-case basis, following the study of how a particular nanotube responds to the presence of a specific doping agent. With a multitude of possible combinations, this so-called forward modeling approach is unable to address questions of general nature, like, for instance, the necessary features the components must have to produce certain physical properties on the device. Questions of this nature call for an inverse modeling scheme in which information about the sensor components can be extracted from the knowledge of a few physical quantities demanded for the device. Here we make use of a mathematically transparent formalism that works in both the forward and the inverse directions. We argue that this method can provide general guidelines on the absorption process and narrow the search for the ideal combination of tube and doping agents required to produce efficient nanoscopic sensors.
71.15.-m - Methods of electronic structure calculations.
73.22.-f - Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals.
71.55.-i - Impurity and defect levels.
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