Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV23)
DOI: https://doi.org/10.29363/nanoge.hopv.2023.137
Publication date: 30th March 2023
I will discuss the promising use of tellurium-based materials in optoelectronics and how we have developed a new technique, 125Te Magic Angle Spinning (MAS) Nuclear Magnetic Resonance (NMR), to study their atomic-level structure. The focus of our study is on A2TeX6 compounds, where A is Cs and MA, and X is I, Br, and Cl.
I will first provide an overview of how these materials have been applied in optoelectronics to date, including the various synthetic protocols used in the field [1,2]. Then, I will try to answer the following question: why is it important to study both their long-range and local structure? [3] We have discovered that 125Te NMR is highly sensitive to the halide composition and provides a unique insight into the tellurium coordination environments. Consequently, we were able to study halide mixing in situ and found that it occurs on the timescale of seconds to minutes at elevated temperatures. By studying 125Te NMR relaxation and its underlying physics, we were able to quantify halide diffusion and determine its activation energy in these materials. I will discuss how those activation barriers compare to other important, lead- and tin-based, classes of halide perovskite materials.
Our study showcases the versatility of solid-state 125Te NMR spectroscopy in characterizing the local structure of tellurium-based optoelectronic materials at the atomic level. The information gained from our approach provides a valuable tool for understanding the structure-property relationships of these materials and paves the way for studying more complex compositions. By gaining deeper insights into the halide mixing process, which is critical in phenomena such as J-V hysteresis, we can guide the design of new tellurium-based materials with improved properties.
The UK High-Field Solid-State NMR Facility used in this research was funded by EPSRC and BBSRC (EP/T015063/1) as well as the University of Warwick including via part funding through Birmingham Science City Advanced Materials Projects 1 and 2 supported by Advantage West Midlands (AWM) and the European Regional Development Fund (ERDF)."
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International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
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