Modeling the Properties of Carbon Nanotubes for Sensor - Based Devices

Carbon Nanotube Devices: Properties, Modeling, Integration and Applications, Advanced Micro and Nanosystems, Ed. C. Hierold and O. Brand and G. K. Fedder and J. G. Korvink and O. Tabata, Wiley-VCH, Weinheim Vol. 8, p. 181 - 228 (2008)

Modeling the Properties of Carbon Nanotubes for Sensor - Based Devices

C. Roman, S. Roche, A. Rubio

There is a great variety of applications for which carbon nanotubes (CNTs) represent a disruptive potential, ranging from energy storage, composites, nanoelectronics and other solid-state devices, to sensors and actuators. Investigating the properties of nanotube-based devices, via modeling and simulation, is preferable in a context in which nanotube manipulation and characterization are still limited, time consuming and expensive. The aim of this chapter is to give a brief introduction to CNT-based sensors from a modeling and simulation perspective, and highlight the importance of bringing together simulation and measurement. Modeling CNT sensors is often a challenging task because of the rich physics encompassing optical, electronic and mechanical phenomena and inter-coupling of these, unfolding over many time and length-scales. Common modeling methods and choices for calculations of the electronic structure, transport and mechanical properties of CNT-based devices, are indicated in this chapter, together with a few illustrative case-studies.

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