Structure-function effects of Na-K alloying in double perovskite nanocrystals
Offir Zachs a, Saar Shaek a, Ivano Eligio Castelli b, Yehonadav Bekenstein a
a Department of Materials Science and Engineering, Technion-Israel Institute of Technology, Haifa 32000, Israel
b Department of Energy Conversion and Storage (DTU Energy), Technical University of Denmark, Anker Engelunds Vej 301, 2800 Kongens Lyngby, Denmark
Proceedings of International Conference on Emerging Light Emitting Materials (EMLEM23)
Peyia, Cyprus, 2023 November 13th - 15th
Organizers: Grigorios Itskos, Maksym Kovalenko and Maryna Bodnarchuk
Oral, Offir Zachs, presentation 012
DOI: https://doi.org/10.29363/nanoge.emlem.2023.012
Publication date: 18th August 2023

Green energy and materials are crucial players in a world with growing energy demands. Elpasolites hold a double perovskite structure omitting toxic lead, gaining great interest[1]. Here Cs2Na1-xKxInCl6 compositions with Sb-doping are investigated. We explore the effect of Na-K alloy in different ratios on the structure and the electro-optic properties. We used a facile open-air colloidal synthesis for the Sb-doped Cs2Na1-xKxInCl6 nanoparticles, allowing easy access for examining different Na-K ratios.

The synthesis produces nanocubes of 15 nm in size. Replacing Na with K ions shifts the emission center wavelength to blue and increases the Stokes shift. Compared to the non-alloyed nanoparticles, a higher photoluminescence quantum yield is achieved for K-rich alloys with an optimum of ~35% at 80% K with respect to Na. This study is accompanied by high-resolution synchrotron X-ray diffraction of this Sb-doped and alloyed Cs2Na1-xKxInCl6 nanoparticles for structure validation and examination.

Using in-situ temperature-dependent X-ray diffraction and DFT calculations, we also address a previously understudied phase transition to a lower symmetry structure in the Cs2KInCl6 composition. The synthesized colloidal nanoparticles hold a cubic structure, whereas fused sub-micron particles and semi-bulk material have a tetragonal structure. We also show the dependence of the phase transition on the particle colloidal synthesis parameters.

Our results emphasize the significance of engineering phases and symmetry in double perovskites for enhanced optical activity toward environmentally friendly light-emitting materials with tunable optical properties.

This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 949682-ERC-HeteroPlates.

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