A collaboration between three ISSP UL laboratories (Laboratory of Kinetics in Self-Organizing Systems, Thin Films Laboratory and EXAFS Spectroscopy Laboratory) and colleagues from KTH-Royal Institute of Technology (Sweden) and Synchrotron SOLEIL (France) resulted in an article The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments (DOI 10.1039/D1TC00223F) published in high-impact journal Journal of Materials Chemistry C (IF=7.059). Authors: Andrei Chesnokov, Denis Gryaznov, Natalia V. Skorodumova, Eugene A. Kotomin, Andrea Zitolo, Martins Zubkins, Alexei Kuzmin, Andris Anspoks and Juris Purans.
Zinc oxide (ZnO) is a widely studied semiconductor material, whose properties are determined by intrinsic and impurity defects. In the article, the authors used X-ray absorption spectroscopy at the Ir L3-edge and hybrid density functional theory calculations to elucidate the effect of iridium impurity on the structure and properties of Ir-doped ZnO thin films with special emphasis on their thermoelectric applications.
The work was supported by the ERAF Project No. 1.1.1.1/18/A/073. Calculations were performed under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 Programme.
