Sulfur to oxygen substitution in BiOCuSe and its effect on the thermoelectric properties

Mi Kyung Han, Ying Shi Jin, Byung Kyu Yu, Woongjin Choi, Tae Soo You, Sung Jin Kim

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The effects of S doping at the oxygen site on the thermoelectric properties of BiOCuSe have been investigated. The partial substitution of S ions at the O sites of BiOCuSe was achieved by sulfurization using CS2 gas. Analysis of the powder X-ray diffraction data indicates that the ZrCuSiAs structure of BiOCuSe is retained after sulfurization. Substitution of O with S leads to an increase in the lattice parameters and a decrease in the band gap. The electrical conductivity rises due to the increase of the electronic contribution with doping. S-doped BiOCuSe materials behave as a p-type semiconductor. The thermoelectric properties of S-doped BiOCuSe materials can be understood through the analysis of the electronic band structure and the density of states close to the Fermi level. The substitution of O sites with S provides possible directions toward the enhancement of the thermoelectric figure of merit of oxide materials with low electrical conductivity.

Original languageEnglish
Pages (from-to)13859-13865
Number of pages7
JournalJournal of Materials Chemistry A
Issue number36
StatePublished - 2016

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Publisher Copyright:
© 2016 The Royal Society of Chemistry.


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