Fundamental electromagnetic properties of CNTs and GNRs nanostructures with functionalized atomic groups and their various interconnects with the essential concentration of 'dangling bonds' are very sensitive to local external perturbations. The induced changes of local electronic density of states lead to correlated changes of current and spin states. The cluster approach based on the multiple scattering theory as well as an effective medium approximation were used to model the dispersion law, electronic density of states, conductivity, etc. Multiple scattering problems were solved for nanostructures with radial and axial symmetry. Parametrical numerical simulations of conductivity using the formalism of Kubo-Greenwood were carried out for zig-zag (m,0), armchair (m,m) and chiral (m,n) CNTs. The sensitivity of conductivity to the local electronic density of states in CNTs with local impurities (N and B atoms) was demonstrated to be promising for nanosensors.
Cluster approach based on the multiple scattering theory formalism, realistic analytical and coherent potentials, as well as effective medium approximation (EMA-CPA), can be effectively used for nano-sized systems modeling. Major attention is paid now to applications of carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) with various morphology which possess unique physical properties in nanoelectronics, e.g., contacts of CNTs or (GNRs) with other conducting elements of a nanocircuit, which can be promising candidates for interconnects in high-speed electronics. The main problems solving for resistance C-Me junctions with metal particles appear due to the influence of chirality effects in the interconnects of single-wall (SW) and multi-wall (MW) CNTs, single-layer (SL) and multi-layer (ML) GNRs with the fitting metals (Me ¼ Ni, Cu, Ag, Pd, Pt, Au) for the predefined carbon system geometry. Using the models of 'liquid metal' and 'effective bonds' developed in the framework of the presented approach and Landauer theory, we can predict resistivity properties for the considered interconnects. We have also developed the model of the inter-wall interaction inside MW CNTs, which demonstrates possible 'radial current' losses. CNT-and GNR-Metal interconnects in FET-type nanodevices provide nanosensoring possibilities for local physical (mechanical), chemical and biochemical influences of external medium. At the same time, due to high
As carbon nanotubes (CNT) and graphene nanostructures (GNR) constitute the basis of high-speed nanoelectronics and nanosensors, we examine the fundamental properties of various CNT-metal (Me), GNR-Me, and CNT-graphene interconnects. The cluster approach based on the multiple scattering theory as well as effective medium approximation were used to model the dispersion law, electronic density of states (DOS), and conductivity, etc. Multiple scattering problems were solved for nanostructures with radial (quantum dots) and axial (nanowires, nanotubes) symmetry. Interconnect capacitances and impedances have been evaluated in the GHz and THz regimes. Parametrical numerical simulations of conductivity were carried out for zig-zag ðm; 0Þ, armchair ðm; mÞ, and chiral ðm; nÞ CNTs, and the sensitivity of conductivity to the local electronic DOS in CNTs with local impurities (N and B atoms) was demonstrated. CNTs, CNT-Me, and GNR-Me based nanostructures are prospective nanosensor structures.
Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.
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