R. Botella, J. Fernández-Catalá, W. Cao, Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning, Materials Letters, Volume 352, 2023, 135070, ISSN 0167-577X, https://doi.org/10.1016/j.matlet.2023.135070
Experimental Ni₃TeO₆ synthesis condition exploration accelerated by active learning
|Author:||Botella, R.1; Fernández-Catalá, J.1,2; Cao, W.1|
1Nano and Molecular Systems Research Unit, University of Oulu, FIN-90014, Oulu, Finland
2Materials Science Institute and Inorganic Chemistry Department, University of Alicante, Ap. 99, E-03080 Alicante, Spain
|Online Access:||PDF Full Text (PDF, 2.2 MB)|
|Persistent link:|| http://urn.fi/urn:nbn:fi-fe20231010139427
|Publish Date:|| 2023-10-10
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.
|Type of Publication:||
A1 Journal article – refereed
|Field of Science:||
116 Chemical sciences
This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 101002219). JFC thanks European Union-Next Generation EU, MINECO, and University of Alicante for a postdoctoral researcher grant (MARSALAS21-09).
|EU Grant Number:||
(101002219) CATCH - Cross-dimensional Activation of Two-Dimensional Semiconductors for Photocatalytic Heterojunctions
© 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).