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Scalable solution chemical synthesis and comprehensive analysis of Bi2Te3 and Sb2Te3
Authors:
Bejan Hamawandi,
Parva Parsa,
Inga Pudza,
Kaspars Pudzs,
Alexei Kuzmin,
Sedat Ballikaya,
Edmund Welter,
Rafal Szukiewicz,
Maciej Kuchowicz,
Muhammet S. Toprak
Abstract:
Thermoelectric (TE) materials can directly convert heat into electrical energy. However, they sustain costly production procedures and batch-to-batch performance variations. Therefore, developing scalable synthetic techniques for large-scale and reproducible quality TE materials is critical for advancing TE technology. This study developed a facile, high throughput, solution-chemical synthetic tec…
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Thermoelectric (TE) materials can directly convert heat into electrical energy. However, they sustain costly production procedures and batch-to-batch performance variations. Therefore, developing scalable synthetic techniques for large-scale and reproducible quality TE materials is critical for advancing TE technology. This study developed a facile, high throughput, solution-chemical synthetic technique. Microwave-assisted thermolysis process, providing energy-efficient volumetric heating, was used for the synthesis of bismuth and antimony telluride (Bi2Te3, Sb2Te3). As-made materials were characterized using various techniques, including XRPD, SEM, TEM, XAS, and XPS. Detailed investigation of the local atomic structure of the synthesized Bi2Te3 and Sb2Te3 powder samples was conducted through synchrotron radiation XAS experiments. The sintered TE materials exhibited low thermal conductivity, achieving the highest TE figure-of-merit values of 0.7 (573 K) and 0.9 (523 K) for n-type Bi2Te3 and p-type Sb2Te3, respectively, shifted significantly to the high-temperature region when compared to earlier reports, highlighting their potential for power generation applications. The scalable, energyand time-efficient synthetic method developed, along with the demonstration of its potential for TE materials, opens the door for a wider application of these materials with minimal environmental impact.
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Submitted 12 March, 2025;
originally announced March 2025.
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Temperature-dependent local structure and lattice dynamics of 1T-TiSe$_2$ and 1T-VSe$_2$ probed by X-ray absorption spectroscopy
Authors:
Inga Pudza,
Boris Polyakov,
Kaspars Pudzs,
Edmund Welter,
Alexei Kuzmin
Abstract:
The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se K-edges. Analysis of the extended X-ray absorption fine structure (EXAFS) spectra, employing reverse Monte Carlo (RMC) simulations, enabled tracking the temperatu…
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The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se K-edges. Analysis of the extended X-ray absorption fine structure (EXAFS) spectra, employing reverse Monte Carlo (RMC) simulations, enabled tracking the temperature evolution of the local environment in the range of 10-300 K. The atomic coordinates derived from the final atomic configurations were used to calculate the partial radial distribution functions (RDFs) and the mean-square relative displacement (MSRD) factors for the first ten coordination shells around the absorbing atoms. Characteristic Einstein frequencies and effective force constants were determined for Ti-Se, Ti-Ti, V-Se, V-V, and Se-Se atom pairs from the temperature dependencies of MSRDs. The obtained results reveal differences in the temperature evolution of lattice dynamics and the strengths of intralayer and interlayer interactions in TiSe$_2$ and VSe$_2$.
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Submitted 29 January, 2024;
originally announced January 2024.
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Nanocrystalline CaWO$_4$ and ZnWO$_4$ Tungstates for Hybrid Organic-Inorganic X-ray Detectors
Authors:
Inga Pudza,
Kaspars Pudzs,
Andrejs Tokmakovs,
Normunds Ralfs Strautnieks,
Aleksandr Kalinko,
Alexei Kuzmin
Abstract:
Hybrid materials combining an organic matrix and high-Z nanomaterials show potential for applications in radiation detection, allowing unprecedented device architectures and functionality. Herein, novel hybrid organic-inorganic systems were produced using a mixture of tungstate (CaWO$_4$ or ZnWO$_4$) nanoparticles with a P3HT:PCBM blend. The nano-tungstates with a crystallite size of 43 nm for CaW…
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Hybrid materials combining an organic matrix and high-Z nanomaterials show potential for applications in radiation detection, allowing unprecedented device architectures and functionality. Herein, novel hybrid organic-inorganic systems were produced using a mixture of tungstate (CaWO$_4$ or ZnWO$_4$) nanoparticles with a P3HT:PCBM blend. The nano-tungstates with a crystallite size of 43 nm for CaWO$_4$ and 30 nm for ZnWO$_4$ were synthesized by the hydrothermal method. Their structure and morphology were characterized by X-ray diffraction and scanning electron microscopy. The hybrid systems were used to fabricate direct conversion X-ray detectors able to operate with zero bias voltage. The detector performance was tested in a wide energy range using monochromatic synchrotron radiation. The addition of nanoparticles with high-Z elements improved the detector response to X-ray radiation compared with that of a pure organic P3HT:PCBM bulk heterojunction cell. The high dynamic range of our detector allows for recording X-ray absorption spectra, including the fine X-ray absorption structure located beyond the absorption edge. The obtained results suggest that nanocrystalline tungstates are promising candidates for application in direct organic-inorganic X-ray detectors.
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Submitted 10 February, 2023;
originally announced February 2023.
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Amorphous p-Type Conducting Zn-x Ir Oxide (x > 0.13) Thin Films Deposited by Reactive Magnetron Cosputtering
Authors:
Martins Zubkins,
Janis Timoshenko,
Jevgenijs Gabrusenoks,
Kaspars Pudzs,
Andris Azens,
Qin Wang,
Juris Purans
Abstract:
Zinc-iridium oxide (Zn-Ir-O) thin films have been demonstrated as a p-type conducting material. However, the stability of p-type conductivity with respect to chemical composition or temperature is still unclear. In this study we discuss the local atomic structure and the electrical properties of Zn-Ir-O films in the large Ir concentration range. The films are deposited by reactive DC magnetron co-…
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Zinc-iridium oxide (Zn-Ir-O) thin films have been demonstrated as a p-type conducting material. However, the stability of p-type conductivity with respect to chemical composition or temperature is still unclear. In this study we discuss the local atomic structure and the electrical properties of Zn-Ir-O films in the large Ir concentration range. The films are deposited by reactive DC magnetron co-sputtering at two different substrate temperatures-without intentional heating and at 300 °C. Extended X-ray absorption fine structure (EXAFS) analysis reveals that strongly disordered ZnO4 tetrahedra are the main Zn complexes in Zn-Ir-O films with up to 67.4 at% Ir. As the Ir concentration increases, an effective increase of Ir oxidation state is observed. Reverse Monte Carlo analysis of EXAFS at Zn K-edge shows that the average Zn-O interatomic distance and disorder factor increase with the Ir concentration. We observed that the nano-crystalline w-ZnO structure is preserved in a wider Ir concentration range if the substrate is heated during deposition. At low Ir concentration, the transition from n- to p-type conductivity is observed regardless of the temperature of the substrates. Electrical resistivity decreases exponentially with the Ir concentration in the Zn-Ir-O films.
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Submitted 12 July, 2022;
originally announced July 2022.