Research Papers: Radiative Heat Transfer

First Principles and Finite Element Predictions of Radiative Properties of Nanostructure Arrays: Single-Walled Carbon Nanotube Arrays

[+] Author and Article Information
Aaron Sisto, Timothy S. Fisher

School of Mechanical Engineering and
Birck Nanotechnology Center,
Purdue University,
West Lafayette, IN 47907

Xiulin Ruan

School of Mechanical Engineering and Birck Nanotechnology Center,
Purdue University,
West Lafayette, IN 47907
e-mail: ruan@purdue.edu

1Current address: School of Materials Science and Engineering, Stanford University, Stanford, CA 94305.

2Corresponding author.

Contributed by the Heat Transfer Division of ASME for publication in the JOURNAL OF HEAT TRANSFER. Manuscript received June 24, 2012; final manuscript received January 18, 2014; published online March 10, 2014. Assoc. Editor: He-Ping Tan.

J. Heat Transfer 136(6), 062702 (Mar 10, 2014) (6 pages) Paper No: HT-12-1305; doi: 10.1115/1.4026552 History: Received June 24, 2012; Revised January 18, 2014

Recent advances in nanofabrication technology have facilitated the development of arrays of nanostructures in the classical or quantum confinement regime, e.g., single-walled carbon nanotube (SWCNT) arrays with long-range order across macroscopic dimensions. So far, an accurate generalized method of modeling radiative properties of these systems has yet to be realized. In this work, a multiscale computational approach combining first-principles methods based on density functional theory (DFT) and classical electrodynamics simulations based on the finite element method (FEM) is described and applied to the calculations of optical properties of macroscopic SWCNT arrays. The first-principles approach includes the use of the GW approximation and Bethe–Salpeter methods to account for excited electron states, and the accuracy of these approximations is assessed through evaluation of the absorption spectra of individual SWCNTs. The fundamental mechanisms for the unique characteristics of extremely low reflectance and high absorptance in the near-IR are delineated. Furthermore, opportunities to tune the optical properties of the macroscopic array are explored.

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Fig. 1

A sketch of the SWCNT array structure and the incident angles θ

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Fig. 2

GW-BSE dielectric function of SWCNTs for the s-polarization: (a) imaginary part and (b) real part, with a broadening of 0.80 eV

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Fig. 3

GW-BSE imaginary part of the dielectric function of SWCNTs for the p-polarization with a broadening of 0.80 eV

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Fig. 4

(a) Imaginary part of the dielectric function for s-polarized light with varying fraction of metallic CNTs, fm, relative to the total number of CNTs, (b) effective optical properties of 1 μm thick slab and incidence angle of 45 deg, and (c) effective real index of refraction for a macroscopic array for the p-polarized light

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Fig. 5

Predicted reflectance of the macroscopic array as a function of incidence angle, as well as the measured spectral reflectance data from Ref. [11]. Both calculations and experiments refer to a vertically aligned array with tilt angle of 20 deg.

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Fig. 6

(a) Calculated absorptance for varying array thickness and (b) absorbance of the macroscopic array as a function of array thickness. The inset is the measured absorbance corresponding to experiments in Ref. [37]. Both experiment and theory correspond to a wavelength of 488 nm.




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