Thermal conductivity for single-walled carbon nanotubes from Einstein relation in molecular dynamics

2013 ◽  
Vol 74 (11) ◽  
pp. 1599-1603 ◽  
Author(s):  
Ali Nasir Imtani
Author(s):  
Shigeo Maruyama ◽  
Rong Xiang

Vertically aligned single-walled carbon nanotubes (VA-SWNTs) is expected to be an extra-ordinal material for various optical, electrical, energy, and thermal devices. The recent progress in growth control and characterization techniques will be discussed. The CVD growth mechanism of VA-SWNTs is discussed based on the in-situ growth monitoring by laser absorption during CVD. The growth curves are characterized by an exponential decay of the growth rate from the initial rate determined by ethanol pressure. The initial growth rate and decay of it are discussed with carbon over-coat on metal catalysts and gas phase thermal decomposition of precursor ethanol. For the precisely patterned growth of SWNTs, we recently propose a surface-energy-difference driven selective deposition of catalyst for localized growth of SWNTs. For a self assembled monolayer (SAM) patterned Si surface, catalyst particles deposit and SWNTs grow only on the hydrophilic regions. The proposed all-liquid-based approach possesses significant advantages in scalability and resolution over state-to-the-art techniques, which we believe can greatly advance the fabrication of nano-devices using high-quality as-grown SWNTs. The optical characterization of the VA-SWNT film using polarized absorption, polarized Raman, and photoluminescence spectroscopy will be discussed. Laser-excitation of a vertically aligned film from top means that each nanotube is excited perpendicular to its axis. Because of this predominant perpendicular excitation, interesting cross-polarized absorption and confusing and practically important Raman features are observed. The extremely high and peculiar thermal conductivity of single-walled carbon nanotubes has been explored by non-equilibrium molecular dynamics simulation approaches. The thermal properties of the vertically aligned film and composite materials are studied by several experimental techniques and Monte Carlo simulations based on molecular dynamics inputs of thermal conductivity and thermal boundary resistance. Current understanding of thermal properties of the film is discussed.


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