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Extending the perovskite-inspired mixed-metal chalcohalide alloy space for solar cells

CORDIS · observation · Publication date unknown

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. perovskite-inspired mixed-metal chalcohalides, materials exploration, compositional engineering, defects, machine learning, density functional theory

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recordType

award

status

SIGNED

region

EU

value

199694.4

unit

EUR