4.2 Article

Explosive molecule sensing at lattice defect sites in metallic carbon nanotubes

Journal

MATERIALS ADVANCES
Volume 2, Issue 19, Pages 6315-6325

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d1ma00571e

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Funding

  1. Office of Naval Research [N00014-16-2357]
  2. Department of Defense High Performance Computing Modernization Program [ONRDC 40983493]
  3. Texas Advanced Computing Centerat the University of Texas at Austin [G-815029]

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Experimental research using carbon nanotube (CNT) based sensors for explosives and hazardous gas sensing has shown that arrays of CNT sensors incorporating substitutional doping or structural flaws can improve selectivity. These arrays can effectively distinguish explosive molecules from common background gases by capitalizing on the nonlinear current-voltage characteristics of the CNTs.
Explosives and hazardous gas sensing using carbon nanotube (CNT) based sensors has been a focus of considerable experimental research. The simplest sensors have employed a chemiresistive sensing mechanism, and rely on substitutional doping or structural flaws (vacancy, divacancy, or Stone-Wales defects) to increase sensitivity. However since chemiresistive sensors often show poor selectivity, further improvements are needed. Ab initio analysis of the chemiresistive response of five metallic CNT sensors incorporating substitutional doping or structural flaws suggests that arrays of these devices may be effectively employed to improve selectivity. In particular, arrays composed of doped or flawed CNTs can distinguish nitroaromatic and nitramine explosive molecules from each other and from four common background gases. Array selectivity is improved by capitalizing upon the nonlinear current-voltage characteristics of the substitutionally doped or structurally flawed CNTs.

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