The FAIRification of PV research data: a prerequisite for the efficient use of AI tools
Eva Unger a b
a Helmholtz-Zentrum Berlin für Materialen und Energie, Department Solution-Processing of Hybrid Materials and Devices, Albert-Einstein-Straße, 15, 12489 Berlin, Germany
b Humboldt Universität zu Berlin, Department of Chemistry, Center for the Science of Materials Berlin, Zum Großen Windkanal 2, 12489 Berlin, Germany
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
#AI - Automation and Nanomaterials (machine learning, artificial intelligence, robotics, accelerated discovery)
Barcelona, Spain, 2024 March 4th - 8th
Organizers: Ivan Infante and Oleksandr Voznyy
Invited Speaker, Eva Unger, presentation 454
DOI: https://doi.org/10.29363/nanoge.matsus.2024.454
Publication date: 18th December 2023

Sustainable global human existence requires a shift in the management and utilization of research data across all domains. In the realm of energy conversion materials, the intense exploration of halide perovskite materials since 2012 for potential use in optoelectronics has led to numerous startups actively pursuing commercialization efforts. However, the escalating volume of globally generated research data presents a critical challenge: the traditional dissemination strategies reliant on the publication of peer-reviewed articles. This causes big issues leading to the underutilization of information and research results generated. On the one hand, the spreading of information across numerous scientific journals results in an overwhelming, disparate dataset, impossible for any individual researcher to navigate. On the other hand, only a fraction of the experimental data gathered is being disseminated, with a bias toward positive outcomes, creating an incomplete and skewed dataset.

In response to this growing issue and “out of despair”, we initiated a collaborative data collection campaign in 2019 to consolidate research data from the sub-domain of perovskite solar cell test-cell development into a unified database [1]. While this dataset is currently one of the largest and most comprehensive in its field, it requires modernization to adhere to FAIR data principles and facilitate integration with machine learning tools, thereby making research more sustainable.

This presentation outlines our recent strides in expanding the Perovskite "literature" database on www.perovskitedatabase.com into an experimental database utilizing the NOMAD data infrastructure and management tools. Alongside the technical implementation, we are standardizing the data ontology for experimental samples and datasets, promoting easy replication and linkage to collect and utilize data generated by the global research community.

As a collaborative group of idealists, we dedicate our time and effort to this initiative, seeking to connect with like-minded researchers—especially those with advanced abilities and experience in research data management and AI. At this stage, input from AI experts is crucial to ensure the research data infrastructure we are building for experimental PV scientists fulfills the needs of the research community while enabling the efficient use of AI tools to make information exploitation faster and more sustainable.

The Perovskite Database (www.perovskitedatabase.com) was initiated as part of the GRECO project - funded by the European Union’s Horizon 2020 research and innovation program (grant no. 787289). This project continues in the framework of the European Union’s Horizon Europe-funded project VIPERLAB (www.viperlab.eu). We collaborate closely with the FAIRmat project (https://www.fairmat-nfdi.eu/fairmat/).

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