Han, Bowen;
Yu, Shuang;
Zhan, Sibo;
Yan, Xihan;
Li, Yang;
Zhu, Zhenghang;
Hong, Xin;
... Weng, Xiaole; + view all
(2025)
Accelerating the Discovery of High-Entropy Oxide Catalysts through High-Throughput Synthesis and Rapid Screening.
Advanced Functional Materials
, Article e18974. 10.1002/adfm.202518974.
(In press).
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Darr_V11.0-High-Throughput Syntheses and Rapid Screening of High-Entropy Oxides.pdf Access restricted to UCL open access staff until 6 October 2026. Download (1MB) |
Abstract
High-entropy oxides (HEOs) are emerging as a promising material for next-generation catalysts. However, their versatile compositions and complex atomic arrangements present great challenges in rapid and scale-up synthesis, identifying the active sites, and unraveling structure-performance relationships. Herein, an all-in-one workflow is developed to synthesize, characterize, understand, and apply HEOs in catalysis, combining high-throughput synthesis (≈100 g/h in pilot scale), rapid activity testing, and data-driven screening. The workflow involves synthesis of HEOs via a continuous hydrothermal flow reactor, integrated with rapid thermal processing. Catalytic testing is conducted using a rapid Joule heating system and a machine learning-based model is used to unveil the synthesis-structure-performance relationships. As a proof-concept, this workflow is demonstrated to continually produce 52 HEOs existing in eight distinct crystal structures, with 16 metal elements. This rapid approach, supplemented by data-driven analysis to identify the champion samples, represents ≈70% time saving compared to more conventional make-and-test methods.
| Type: | Article |
|---|---|
| Title: | Accelerating the Discovery of High-Entropy Oxide Catalysts through High-Throughput Synthesis and Rapid Screening |
| DOI: | 10.1002/adfm.202518974 |
| Publisher version: | https://doi.org/10.1002/adfm.202518974 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Chemistry, Chemistry, Multidisciplinary, Chemistry, Physical, high-entropy oxides, KINETICS, Materials Science, Materials Science, Multidisciplinary, METHANE, Nanoscience & Nanotechnology, non-oxidative coupling of methane, Physical Sciences, Physics, Physics, Applied, Physics, Condensed Matter, rapid screening, RARE-EARTH, scalable synthesis, Science & Technology, Science & Technology - Other Topics, supercritical water, Technology |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10217989 |
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