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Journal article · Preprint article · Conference paper

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

From

Department of Physics, Technical University of Denmark1

Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark2

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 and non-equilibrium Green's function methodologies, respectively.

Specifically, we show how Ni and Cu doped metallic (6,6) single-walled carbon nanotubes may work as effective multifunctional sensors for both CO and NH3.

Language: English
Publisher: WILEY‐VCH Verlag
Year: 2010
Pages: 2678-2682
Proceedings: IWEPNM 2010 - 24th International Winterschool on Electronic Properties of Novel Materials - Molecular Nanostructures
ISBN: 1281355003 , 354073483X , 354073483x , 3540734848 , 3642092578 , 9781281355003 , 9783540734833 , 9783540734840 and 9783642092572
ISSN: 15213951 and 03701972
Types: Journal article , Preprint article and Conference paper
DOI: 10.1002/pssb.201000171
ORCIDs: García Lastra, Juan Maria , Thygesen, Kristian Sommer and Jacobsen, Karsten Wedel

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