References

We demonstrate a bottom up approach to the computational design of a multifunctional chemical sensor [1,2]. General techniques are employed for describing the adsorption coverage and resistance properties of the sensor based on density functional theory (DFT) and non-equilibrium Green's function methodologies (NEGF), respectively. Specifically, we show how Ni and Cu doped metallic (6,6) single-walled carbon nanotubes (SWNTs) may work as effective multifunctional sensors for both CO and NH3