Journal article · Preprint article · Conference paper
Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes : Designing multifunctional sensors using doped carbon nanotubes
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 |
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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 |