Chemistry

Simple descriptor derived from symbolic regression accelerating the discovery of new perovskite catalysts

B. Weng, Z. Song, et al.

Discover groundbreaking insights into oxide perovskite catalysts designed for enhanced oxygen evolution reaction activities! This research, conducted by authors including Baicheng Weng and Zhilong Song, unveils a novel descriptor that expedites the creation of promising new catalysts. Four out of five synthesized perovskites exhibited remarkable intrinsic activities, paving the way for future innovations in this vital field.

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Abstract

Symbolic regression (SR) is used to guide the design of new oxide perovskite catalysts with improved oxygen evolution reaction (OER) activities. A simple descriptor, *u*/t, where *u* and *t* are the octahedral and tolerance factors, respectively, is identified, which accelerates the discovery of a series of new oxide perovskite catalysts with improved OER activities. Five new oxide perovskites were synthesized and their OER activities characterized. Four of them showed high intrinsic activities.

Publisher

NATURE COMMUNICATIONS

Published On

Jul 14, 2020

Authors

Baicheng Weng, Zhilong Song, Rilong Zhu, Qingyu Yan, Qingde Sun, Corey G. Grice, Yanfa Yan, Wan-Jian Yin

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