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Issue 9, 2017
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Tuning the optical, electronic and thermal properties of Cu3NbS4−xSex through chemical substitution

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Abstract

Several compositions of the Cu3NbS4−xSex (x = 0, 0.1, 0.2, 0.4, 0.6, 0.8, and 4) series were synthesized through combination of the elements using conventional solid-state reactions. X-ray powder diffraction patterns suggest that the synthesized polycrystalline powder samples are isostructural to sulvanite (Cu3VS4). However, plotting the refined lattice parameters as well as the measured “true” density as a function of Se content (x) showed deviations from linearity, suggesting that the Cu3NbS4−xSex series is not a “true” solid solution. Differential scanning calorimetry data showed that all compounds incongruently melt at ∼1100 K and recrystallize with a minor impurity phase. Optical diffuse reflectance UV/Vis/NIR spectroscopy revealed a nearly linear contraction of the optical band gap with increasing Se content. The direct band gap decreases from 2.53 eV for x = 0.1 to 2.43 eV for x = 0.8. Electronic transport data indicate p-type semiconducting behavior for all samples. Thermal conductivity data showed a rather surprising trend, with the substituted compositions exhibiting higher thermal conductivity than the two end members.

Graphical abstract: Tuning the optical, electronic and thermal properties of Cu3NbS4−xSex through chemical substitution

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Publication details

The article was received on 15 May 2017, accepted on 14 Jun 2017 and first published on 15 Jun 2017


Article type: Research Article
DOI: 10.1039/C7QI00264E
Citation: Inorg. Chem. Front., 2017,4, 1493-1500
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    Tuning the optical, electronic and thermal properties of Cu3NbS4−xSex through chemical substitution

    E. M. Chen, S. S. Stoyko, J. A. Aitken and P. F. P. Poudeu, Inorg. Chem. Front., 2017, 4, 1493
    DOI: 10.1039/C7QI00264E

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