1. Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning
- Author
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Universidad de Alicante. Instituto Universitario de Materiales, Botella, Romain, Fernández-Catalá, Javier, Cao, Wei, Universidad de Alicante. Instituto Universitario de Materiales, Botella, Romain, Fernández-Catalá, Javier, and Cao, Wei
- Abstract
Material synthesis is time- and chemicals-consuming due to the traditional (“brute force”) methodology. For instance, Ni3TeO6 (NTO) is a multiferroic material relevant in different applications. Herein, we used an active learning scheme to explore the different phases obtained using a complex hydrothermal synthesis procedure instead of a solid-state methodology. Different from conventional ML prediction requiring a large dataset, we show that with only 9 data points obtained through experimental endeavor, 87% of the experimental condition space is predicted. The predicted phase configuration is verified with the sample in a new synthetic work. Beside exploring the NTO species, scheme developed herein constitute a powerful tool for experimental condition optimization.
- Published
- 2023