Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

Details Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

2010-04-29

arxiv.org/abs/1004.5334v1

Physica Status Solidi B 2011, 247, 2678-2682

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

24th International Winterschool on Electronic Properties of Novel Materials

Scientific paper

10.1002/pssb.201000171

We demonstrate a "bottom up" approach to the computational design of a multifunctional chemical sensor. 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.

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