Beilstein J. Nanotechnol.2022,13, 721–729, doi:10.3762/bjnano.13.64
good properties for NO2 detection.
Keywords: ammonia; gas sensor; nitrogen dioxide; numericalcomputation; polyaniline; Introduction
Polyaniline is a conducting polymer consisting of benzene rings connected by nitrogen units, which can be used in a wide spectrum of applications, for example, dyes for
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Figure 1:
Polyaniline emeraldine base and emeraldine salt.
Beilstein J. Nanotechnol.2018,9, 1370–1380, doi:10.3762/bjnano.9.129
-of-plane spin–orbit field, respectively, and satisfy .
Solving numerically the BdG equations (Equation 6) we can determine the local order parameter χi and occupancy niσ
where f(ω) = [1 + exp(ω/kBT)]−1. In what follows, we shall inspect the spin-resolved local density of states
For its numerical
computation we replace the Dirac delta function with the Lorentzian function δ(ω) = ζ/[π(ω2 + ζ2)] with a small broadening ζ = 0.01 t. We have solved the BdG equations, considering a single magnetic impurity in a square lattice, comprising Na × Nb = 41 × 41 sites. We assumed U/t = −3, μ/t = 0, and determined
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Figure 1:
The local order parameter obtained at zero temperature for weak λ/t = 0.1 (red line) and strong spi...