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2023 (English)In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 6, no 22, p. 11642-11653Article in journal (Refereed) Published
Abstract [en]
The prototypical chalcogenide perovskite BaZrS3, characterized by its direct band gap, exceptionally strong light-harvesting ability, and good carrier transport properties, provides fundamental prerequisites for a promising photovoltaic material. This inspired the synthesis of BaZrS3 in the form of thin films, using sputtering and rapid thermal processing, aimed at device fabrication for future optoelectronic applications. Using a combination of short- and long-range structural information from X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD), we have elucidated how, starting from a random network of Ba, Zr, and S atoms, thermal treatment induces crystallization and growth of BaZrS3 and explained its impact on the observed photoluminescence (PL) properties. We also provide a description of the electronic structure and substantiate the surface material chemistry using a combination of depth-dependent photoelectron spectroscopy (PES) using hard X-ray (HAXPES) and traditional Al K alpha radiation. From the knowledge of the optical band gap of BaZrS3 thin films, synthesized at an optimal temperature of 900 C-degrees, and our estimation of the valence band edge position with respect to the Fermi level, one may conclude that these semiconductor films are intrinsic in nature with a slight n-type character. A detailed understanding of the growth mechanism and electronic structure of BaZrS3 thin films helps pave the way toward their utilization in photovoltaic applications.
Place, publisher, year, edition, pages
American Chemical Society (ACS), 2023
Keywords
chalcogenide perovskites, BaZrS3, EXAFS, XRD, structure-property correlation, photoelectron spectroscopy, HAXPES
National Category
Condensed Matter Physics Materials Chemistry Other Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
urn:nbn:se:uu:diva-521815 (URN)10.1021/acsaem.3c02075 (DOI)001142968500001 ()
Funder
StandUpSwedish Research Council, 2017-04341Swedish Foundation for Strategic Research, RMA15-0130Swedish Energy Agency, P43549-1Swedish Research Council, 2018-06465Swedish Research Council, 2018-04330Swedish Research Council, 2018-05525Swedish Research Council, 2020-00681Swedish Research Council, 2017-04336Swedish Research Council, 2019-00207Swedish Research Council, 2018-07152eSSENCE - An eScience CollaborationSwedish Energy Agency, P50626-1Göran Gustafsson Foundation for promotion of scientific research at Uppala University and Royal Institute of Technology, 1927Vinnova, 2018-04969Swedish Research Council Formas, 2019-02496
2024-01-292024-01-292024-01-29Bibliographically approved