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Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/48458
Title: Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes
Authors: Mowbray, D. J.; García-Lastra, J. M.; Thygesen, Kristian S.; Rubio Secades, Ángel; Jacobsen, K. W.
Keywords: CO
Issue Date: Dec-2010
Publisher: Wiley-VCH
Citation: physica status solidi (b) 247(11-12): 2678-2682 (2010)
Abstract: 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.
Description: 5 páginas, 5 figuras, 1 tabla.-- arXiv:1004.5334v1
Publisher version (URL): http://dx.doi.org/10.1002/pssb.201000171
URI: http://hdl.handle.net/10261/48458
ISSN: 0370-1972
DOI: 10.1002/pssb.201000171
E-ISSN: 1521-3951
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