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Title: High-temperature order/disorder transition in the thermoelectric Cu3SbSe3

Journal Article · · Journal of Materials Research
DOI:https://doi.org/10.1557/jmr.2011.43· OSTI ID:1024672
ORCiD logo [1];  [1];  [2];  [2]; ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Michigan State Univ., East Lansing, MI (United States)
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We report the results of an investigation on the structural evolution of a potential new thermoelectric material, Cu3SbSe3, as a function of temperature from 25 to 390 °C. From high-temperature x-ray diffraction data, the refined lattice parameters were seen to change nonlinearly, but continuously, with temperature, with an increased rate of thermal expansion in the a and b lattice parameters from around 125 °C to 175 °C and negative thermal expansion in the c axis from around 100 °C to 175 °C. Crystallographic charge flipping analysis indicated an increase in the disorder of the copper cations with temperature. This reversible order/disorder phase transition in Cu3SbSe3 affects the transport properties, as evidenced by thermal conductivity measurements, which change from negative to positive slope at the transition temperature. Finally, this structural change in Cu3SbSe3 has implications for its potential use in thermoelectric generators.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; National Science Foundation (NSF)
DOE Contract Number:
AC05-00OR22725; SC0001054
OSTI ID:
1024672
Journal Information:
Journal of Materials Research, Vol. 26, Issue 15; ISSN 0884-2914
Publisher:
Springer Nature
Country of Publication:
United States
Language:
English

References (7)

The phase transformations and thermal expansion of the solid electrolyte Cu3BiS3 between 25 and 300°C journal August 1983
Structural effects on the lattice thermal conductivity of ternary antimony- and bismuth-containing chalcogenide semiconductors journal May 2010
SUPERFLIP – a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions journal July 2007
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems journal September 2008
Cu3SbSe3: Synthese und Kristallstruktur journal April 1995
Thermoelectrics: Direct Solar Thermal Energy Conversion journal April 2008
Disorder of Cu + in Cu 3 SbS 3 : structural investigations of the high- and low-temperature modification journal April 1998

Cited By (1)

Copper–antimony and copper–bismuth chalcogenides—Research opportunities and review for solar photovoltaics journal January 2018

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Related Subjects

30 DIRECT ENERGY CONVERSION
36 MATERIALS SCIENCE
CATIONS
COPPER
LATTICE PARAMETERS
THERMAL DIFFUSIVITY
THERMAL EXPANSION
THERMOELECTRIC GENERATORS
THERMOELECTRIC MATERIALS
TRANSITION TEMPERATURE
TRANSPORT
X-RAY DIFFRACTION
NESDPS Office of Nuclear Energy Space and Defense Power Systems
thermoelectric
HTXRD
order-disorder transition
Cu3SbSe3