Journalartikel

Jahr der Veröffentlichung: 2019

Seiten: 9236-9245

Zeitschrift: Inorganic Chemistry

Bandnummer: 58

Heftnummer: 14

ISSN: 0020-1669

eISSN: 1520-510X

DOI Link: https://doi.org/10.1021/acs.inorgchem.9b00874

Verlag: American Chemical Society

Abstract: 
Owing to their intrinsically low thermal conductivity and chemical diversity, materials within the I-V-VI2 family, and especially AgBiSe2, have recently attracted interest as promising thermoelectric materials. However, further investigations are needed in order to develop a more fundamental understanding of the origin of the low thermal conductivity in AgBiSe2, to evaluate possible stereochemical activity of the 6s(2) lone pair of Bi3+, and to further elaborate on chemical design approaches for influencing the occurring phase transitions. In this work, a combination of temperature-dependent X-ray diffraction, Rietveld refinements of laboratory X-ray diffraction data, and pair distribution function analyses of synchrotron X-ray diffraction data is used to tackle the influence of Sb substitution within AgBi1-xSbxSe2 (0 <= x <= 0.15) on the phase transitions, local distortions, and off-centering of the structure. This work shows that, similar to other lone-pair-containing materials, local off-centering and distortions can be found in AgBiSe2. Furthermore, electronic and thermal transport measurements, in combination with the modeling of point-defect scattering, highlight the importance of structural characterizations toward understanding changes induced by elemental substitutions. This work provides new insights into the structure transport correlations of the thermoelectric AgBiSe2.

Harvard-Zitierstil: Bernges, T., Peilstoecker, J., Dutta, M., Ohno, S., Culver, S., Biswas, K., et al. (2019) Local Structure and Influence of Sb Substitution on the Structure-Transport Properties in AgBiSe₂, Inorganic Chemistry, 58(14), pp. 9236-9245. https://doi.org/10.1021/acs.inorgchem.9b00874

APA-Zitierstil: Bernges, T., Peilstoecker, J., Dutta, M., Ohno, S., Culver, S., Biswas, K., & Zeier, W. (2019). Local Structure and Influence of Sb Substitution on the Structure-Transport Properties in AgBiSe₂. Inorganic Chemistry. 58(14), 9236-9245. https://doi.org/10.1021/acs.inorgchem.9b00874