Modeling a multiple-chain emeraldine gas sensor for NH₃ and NO₂ detection

• Hana Sustkova and
• Jan Voves

Beilstein J. Nanotechnol. 2022, 13, 721–729, doi:10.3762/bjnano.13.64

• extended Hückel method [15]. It is a fast computation method with very good results for the polyaniline system. This method was used for this paper, too. Computation of the device was performed using NEGF and the extended Hückel method [15] to obtain the transmission of the device system, resulting in the

• electrodes through unperturbed PANI chains. Therefore, the hopping influence can be ignored in the comparison with the experimental data. Limitations and validity of the model The extended Hückel method is a semi-empirical method and cannot display reality completely. To compare this model with experimental

• , as seen in the I–V characteristic obtained through the extended Hückel method, in the saturated part, ballistic charge carrier transport of one particle takes place. Thus, for the relative resistance change data, only the initial part of the I–V diagram was taken into account. Also, the numerical

Invariance of molecular charge transport upon changes of extended molecule size and several related issues

• Ioan Bâldea

Beilstein J. Nanotechnol. 2016, 7, 418–431, doi:10.3762/bjnano.7.37

• spurious structures in nonlinear ranges of current–voltage curves. Keywords: extended Hückel method; Landauer formalism; molecular electronics; negative differential resistance; wide- and flat-band approximation; Introduction Even restricted to the steady-state regime, studying charge transport through