Carbon nanostructured material (C-nano) was studied theoretically as an sensitive material for surface acoustic wave (SAW) based chemical sensors based on LiNbO₃ single-crystalls and Si\SiO₂\ZnO structures. The influence of O₂ and H₂ adsorbtion by C-nano layer on fundamental SAW mode velocity was examined. SAW phase velocity culculation in multilayer SAW structures was based on the method of effective material constants depending on temperature, deformations and electric field. C-nano layer was represented by ordered composite material consisting of equidirectional carbon nanotubes embedded to the amorphous carbon matrix. The material parameters of C-nano layer were determined by effective elastic medium method. Single- and two-wall nanotubes of (10,10), (12,6) and (16,0) chiralities with close diameters and equal lengths where investigated with various orientations with respect to SAW waveguide crystallographic orientations and various distances between nanotubes axices.Elastic moduli and adsorbtion characteristics of nanotubes where estimated by molecular dynamics calculations based on MM3 force field. The dependences of the energies of adsorbtion of O₂ and H₂ on single nanotubes with various chiralities and nanotube bundles from the position of adsorbate molecules was studied. The adsorbtion minima are influenced radically by the presence of carbon "hat" at the nanotube ends and very slightly by the nanotube length. Adsorbtion energy for tube bundle exceedes that on graphite claster for all gases studied. The difference between adsorbtion properties of single and multi-wall tubes seems to be very essential. The adsorbtion capacity and thermodesorbtion spectra of various C-nano composites with respect to O₂ and H₂ was estimated.The data presented have shown prospects of usage of nanostructured carbon materials for SAW chemical sensors on the basis of LiNbO₃ and Si\SiO₂\ZnO structures.
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1. Adsorption and acoustic properties of ordered carbon nanotube arrays.