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Journal of Renewable and Sustainable Energy / Volume 1 / Issue 2 / REGULAR ARTICLES

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J. Renewable Sustainable Energy 1, 023104 (2009); doi:10.1063/1.3106303 (8 pages)

Seebeck coefficient and thermal conductivity in doped C60

Wendong Wang1, Zhenjun Wang1, Jinke Tang1, Shizhong Yang2, Hua Jin2, Guang-Lin Zhao2, and Qiang Li3

1Department of Physics and Astronomy, University of Wyoming, Laramie, Wyoming 82071, USA
2Department of Physics, Southern University and A & M College, Baton Rouge, Louisiana 70813, USA
3Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA

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(Received 7 January 2009; accepted 4 March 2009; published online 27 March 2009)

Pressed bulk samples of C60 doped with P, Co, Al, and Bi have been investigated for their thermoelectric properties. These samples show extremely low thermal conductivity, typically in the range of 0.1–0.3 W/Km at room temperature. The Seebeck coefficients of Co, Al, and Bi doped C60 solids are in the tens of μV/K; however, for P doped C60 samples, a very large Seebeck coefficient in the order of 103 μV/K was observed. The value of the Seebeck coefficient seems to depend sensitively on the P concentration and changes sign upon annealing at 100 °C. Ab initio density functional theory calculations show that the calculated electronic structures and the activation energies strongly depend on the dopants in C60 solids. The high Seebeck coefficient in studied P doped C60 is due to the system’s unique dopant and concentration.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. SAMPLE PREPARATION
  3. EXPERIMENTAL RESULTS ON THE THERMAL TRANSPORT PROPERTIES OF Bi, Al, Co, AND BiP CO-DOPED C60
  4. THERMAL TRANSPORT PROPERTIES OF P DOPED C60
  5. ELECTRONIC STRUCTURE OF DOPED C60
  6. CONCLUSIONS

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KEYWORDS and PACS

Keywords

density functional theory, fullerenes, Seebeck effect, semiconductor doping, thermal conductivity, thermoelectricity

PACS

  • 72.20.Pa

    Thermoelectric and thermomagnetic effects

  • 66.70.-f

    Nonelectronic thermal conduction and heat-pulse propagation in solids; thermal waves

  • 61.72.up

    Other materials

  • 72.80.Rj

    Fullerenes and related materials

  • 81.40.Rs

    Electrical and magnetic properties related to treatment conditions

ARTICLE DATA

Permalink
http://link.aip.org/link/doi/10.1063/1.3106303

PUBLICATION DATA

ISSN:

1941-7012 (print)  
1941-7012 (online)

Publisher:

$abstract.society.value is a Member of CrossRef American Institute of Physics

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Figures (7) Tables (1)

Figures (click on thumbnails to view enlargements)

FIG.1
Thermal conductivity of Bi and P co-doped C60, BiPC60.

FIG.1 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.2
Electrical resistivity of BiPC60.

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FIG.3
Seebeck coefficient of C60 with various dopants.

FIG.3 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.4
Seebeck coefficient of BiPC60 that shows a change from positive to negative values as the temperature decreases.

FIG.4 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.5
Thermal conductivity, Seebeck coefficient, electrical resistivity, and figure of merit of a P doped sample (PC60).

FIG.5 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.6
The partial and total density of states of P doped C60(1:60). The Fermi level is at 0.0 eV.

FIG.6 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.7
The partial and total density of states of Bi-doped C60(1:240). The Fermi level is at 0.0 eV.

FIG.7 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

Tables

Table I. The calculated results of P and Bi doped (1:60 concentration) C60 semiconductors using DFT-GGA VASP program. The positive and negative signs of ΔQ mean losing and gaining electrons in ∣e∣. The positive and negative signs of ΔV/V denote expansion and contraction of unit-cell volume, respectively. MB is the magnetic moment of the system in μB.

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