Project description
Chalcohalides could improve photovoltaic power conversion efficiency
Photovoltaic technology offers a clean, safe and affordable energy source for reducing carbon emissions. However, achieving the ambitious 2050 targets set by the European Green Deal requires developing advanced materials with high power conversion efficiencies. Perovskites hold promise but face toxicity and stability issues. Mixed-metal chalcohalides (PIMMCHs) present a potential alternative with better optoelectronic properties, yet remain underexplored. Funded by the Marie Skłodowska-Curie Actions programme, the EXT-PIMMCH project aims to expand the understanding of PIMMCH compounds. To this end, researchers will explore binary and ternary alloys using density functional theory and machine learning. Researchers will identify promising candidates for indoor and outdoor photovoltaic applications, studying defects to enhance material performance and drive commercial adoption of stable, non-toxic solar cells.
Objective
Renewable energies play a central role in the decarbonisation of the energy sector and mitigating man-made climate change. Photovoltaic (PV) technology provides a clean, safe, and affordable renewable source of energy. New photovoltaic materials with high power conversion efficiencies are needed to meet the European Green Deal's 2050 targets and to ensure the large-scale deployment of solar cells. An encouraging material class are perovskites, but as they suffer from toxicity and stability problems, this impedes their commercial viability. One promising alternative are mixed-metal chalcohalides (PIMMCHs), which have the potential to overcome these known problems with perovskites and still exhibit good optoelectronic properties, thus making them of interest for PV applications. However this promising class of materials remains widely unexplored. The aim of this project (EXT-PIMMCH) is to expand the material space of PIMMCH compounds and our understanding of this material class. I will explore I) binary and II) ternary PIMMCH alloys in order to identify promising PIMMCH alloys which are suitable for indoor and outdoor PV applications. For this purpose I will use a combination of density functional theory (DFT) and machine learning to accelerate the material exploration. Finally I will identify a few dozen promising PIMMCH alloys for indoor and/or outdoor PV applications to facilitate further experimental research. Also I will study III) the influence of defects such as vacancies, interstitials and antisites on PIMMCH materials using DFT, which can be used to determine the defect tolerance/intolerance of PIMMCH materials. A profound understanding of defects in PIMMCH materials is essential, because they could have a significant effect on the performance of PV applications. Overall EXT-PIMMCH will facilitate the development of efficient, stable and non-toxic PSCs, thus accelerating large-scale commercial adoption of PSCs.
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Keywords
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Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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Topic(s)
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Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
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Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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Call for proposal
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2023-PF-01
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02150 Espoo
Finland
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