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Area of Science:

  • Materials Science
  • Solid State Chemistry
  • Thermodynamics

Background:

  • Silver bismuth diselenide (AgBiSe2) is an n-type thermoelectric material with a hexagonal-to-cubic phase transition.
  • Silver antimony diselenide (AgSbSe2) is a p-type thermoelectric material that is cubic at all temperatures.
  • Ag(Bi,Sb)Se2 solid solutions are explored for their thermoelectric potential.

Purpose of the Study:

  • Investigate the crystal structure and thermoelectric properties of Ag(Bi,Sb)Se2 solid solutions.
  • Understand the effect of Pb and Nb doping on the phase stability and thermoelectric performance.
  • Explore strategies to overcome challenges in achieving high-performance p-type hexagonal AgBiSe2-based materials.

Main Methods:

  • Synthesis and characterization of AgBi0.9Sb0.1Se2 and AgBi0.7Sb0.3Se2.
  • Doping studies with lead (Pb) and niobium (Nb).
  • Analysis of crystal structure and thermoelectric properties using experimental techniques and first-principles calculations.

Main Results:

  • Pb doping converted AgBi0.9Sb0.1Se2 from n-type to p-type, inducing a polymorphic change to the cubic phase.
  • Nb doping induced a polymorphic change from cubic to hexagonal phase in AgBi0.7Sb0.3Se2.
  • Polymorphic changes were found to be inevitable upon Pb/Nb doping for optimizing thermoelectric properties.

Conclusions:

  • Doping-induced polymorphic changes are critical for tuning the thermoelectric properties of Ag(Bi,Sb)Se2 solid solutions.
  • Achieving high-performance p-type hexagonal AgBiSe2-based materials remains challenging.
  • The study highlights the complex interplay between doping, phase transitions, and thermoelectric performance in these materials.