Browsing by Author "Abarashi, Maryam"

Now showing 1 - 2 of 2
  • Thumbnail Image
    ItemOpen Access
    Electronic Properties of Tailored 2D Materials for Chemical Sensor Applications
    (2022-05-04) Abarashi, Maryam; Gomes da Rocha, Claudia; Friesen, Timothy; Nicola, Wilten
    Chemical sensor devices made of nanoscale materials have been widely used in different technological applications, and their susceptibility to perturbations in the environment depends on the host material properties. The latter can detect a concentration of impurities and evidence such changes in their conductance response which can be viewed as a direct quantum transport problem. In this work, we investigated the inverse of such quantum transport problems in which we attempt to determine the unknown concentration of dopants in nanomaterials from their conductance response. We employed a minimization method named the misfit function, developed by our collaborators in Trinity College Dublin, in which the unknown target concentration of impurities can be determined. Our goal was to test the pros and cons of the misfit function method, as well as its generality, and robustness. These were addressed by probing the method on distinct nanoscale materials such as graphene, carbon nanotubes, and hexagonal boron nitride nanoribbons as hosts for substitutional atomic impurities. Our findings confirm that the method works best at a dilute regime, i.e., at a sufficiently low concentration of impurities, and for ensemble systems with large number of samples (≳ 102 samples).
  • Thumbnail Image
    ItemOpen Access
    Electronic Properties of Tailored 2D Materials for Chemical Sensor Applications
    (2022-05-04) Abarashi, Maryam; Gomes da Rocha, Claudia; Friesen, Timothy; Nicola, Wilten
    Chemical sensor devices made of nanoscale materials have been widely used in different technological applications, and their susceptibility to perturbations in the environment depends on the host material properties. The latter can detect a concentration of impurities and evidence such changes in their conductance response which can be viewed as a direct quantum transport problem. In this work, we investigated the inverse of such quantum transport problems in which we attempt to determine the unknown concentration of dopants in nanomaterials from their conductance response. We employed a minimization method named the misfit function, developed by our collaborators in Trinity College Dublin, in which the unknown target concentration of impurities can be determined. Our goal was to test the pros and cons of the misfit function method, as well as its generality, and robustness. These were addressed by probing the method on distinct nanoscale materials such as graphene, carbon nanotubes, and hexagonal boron nitride nanoribbons as hosts for substitutional atomic impurities. Our findings confirm that the method works best at a dilute regime, i.e., at a sufficiently low concentration of impurities, and for ensemble systems with large number of samples (≳ 102 samples).