Oxide Perovskites for Thermally Enhanced Solar Energy Conversion
Lead Research Organisation:
University of Oxford
Department Name: Oxford Chemistry
Abstract
The following research proposal is aimed at providing a fundamental understanding of how dopants and defects (including their
respective energetic and structural disorder) can modify the electronic structure and charge transport properties of main group metal
oxide perovskites, such as oxygen-deficient BaSnO3-x, which possess optically active valent ns2 lone pair states. This project offers an
exceptional combination of fundament energy materials theory, advanced spectroscopic characterization, and device
demonstrations. One of the main goals of the project is to resolve certain controversies in the current understanding of charge
transport in engineered metal oxide semiconductors, which often deviate from the typical band-like models applied to classical
crystalline absorber materials. Adding specific dopants and/or defects into oxide perovskites, at relatively high concentrations (1-10
mol %) can lead to increased peak charge carrier mobilities, moderate carrier concentrations (via compensation), and simultaneously
generate mid-band gap states with relatively strong optical transitions. This engineering process has the potential to substantially
enhance the optoelectronic performance of the oxide semiconductors. A combination of state-of-the-art experimental and
theoretical approaches will be used, including advanced chemical deposition and device fabrication, in-depth materials
characterization, photo-electrochemical/catalytic analysis, and energy and time dependant spectroscopy. A unique aspect of this
research is the characterization of temperature-dependent charge carrier dynamics to provide an accurate mechanistic
understanding of thermally activated charge transport in oxide materials by considering dynamic disorder models. Subsequently, we
aim to demonstrate how solar thermal integration can act as an innovative strategy to enhance the performance of oxide based
photocatalytic and photovoltaic (PV) systems for efficient solar energy conversion up to 10%.
respective energetic and structural disorder) can modify the electronic structure and charge transport properties of main group metal
oxide perovskites, such as oxygen-deficient BaSnO3-x, which possess optically active valent ns2 lone pair states. This project offers an
exceptional combination of fundament energy materials theory, advanced spectroscopic characterization, and device
demonstrations. One of the main goals of the project is to resolve certain controversies in the current understanding of charge
transport in engineered metal oxide semiconductors, which often deviate from the typical band-like models applied to classical
crystalline absorber materials. Adding specific dopants and/or defects into oxide perovskites, at relatively high concentrations (1-10
mol %) can lead to increased peak charge carrier mobilities, moderate carrier concentrations (via compensation), and simultaneously
generate mid-band gap states with relatively strong optical transitions. This engineering process has the potential to substantially
enhance the optoelectronic performance of the oxide semiconductors. A combination of state-of-the-art experimental and
theoretical approaches will be used, including advanced chemical deposition and device fabrication, in-depth materials
characterization, photo-electrochemical/catalytic analysis, and energy and time dependant spectroscopy. A unique aspect of this
research is the characterization of temperature-dependent charge carrier dynamics to provide an accurate mechanistic
understanding of thermally activated charge transport in oxide materials by considering dynamic disorder models. Subsequently, we
aim to demonstrate how solar thermal integration can act as an innovative strategy to enhance the performance of oxide based
photocatalytic and photovoltaic (PV) systems for efficient solar energy conversion up to 10%.
| Description | Towards efficient solar fuel production with hybrid polymer-inorganic photocatalysts |
| Amount | £195,701 (GBP) |
| Funding ID | ICA\R1\241059 - ISPF |
| Organisation | The Royal Society |
| Sector | Charity/Non Profit |
| Country | United Kingdom |
| Start | 09/2024 |
| End | 09/2027 |
| Description | Secondment host with Helmholtz Zentrum Berlin |
| Organisation | Helmholtz Association of German Research Centres |
| Department | Helmholtz-Zentrum Berlin for Materials and Energy |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | We developed chemical formulations and methods to fabricate pure BaSnO3 and Yittrium doped BaSnO3 powders and thin films. We brought samples to the Helmholtz Zentrum Berlin for characterization. We setup the CVD deposition system in the Lab, to enable the deposition of BaSnO3 thin film samples. |
| Collaborator Contribution | The Research group of Thomas Unold at the Hemholtz Zentrum Berlin (HZB) has provided access to lab facilities and supplies. All chemicals and gas supplies were provided by HZB. The Unold group provided access to their combinatorial analysis suite, which enables mapping analysis for thin film coating. The analysis includes X-ray Fluorescence (XRF), Raman Spectroscopy, spectral Photo-Luminescence (PL), time dependent Photo-Luminescence (tr-PL), conductivity analysis, X-Ray diffraction analysis (XRD) and UV-Vis optical analysis. The group of Galina Gurieva has provided facilities and equipment for vacuum sealed quartz tube annealing for topochemical reaction to introduce oxygen vacancies in BaSnO3 thin films and powder. The group of Susan Schorr also provided access to the in situ variable temperature XRD equipment which is used for accessing the temperature profile of the synthesis procedure and the impact of temperature on crystallization and phase purity of samples. |
| Impact | So far results have been internally reported. The data generated is significantly supporting the project and help towards achieving the project targets. |
| Start Year | 2024 |