Rational Design of Earth-Abundant Catalysts toward Sustainability

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Date

2024

Authors

Guo, J.
Haghshenas, Y.
Jiao, Y.
Kumar, P.
Yakobson, B.I.
Roy, A.
Jiao, Y.
Regenauer-Lieb, K.
Nguyen, D.
Xia, Z.

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Advanced Materials, 2024; 36(42):2407102-1-2407102-34

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Jinyang Guo, Yousof Haghshenas, Yiran Jiao, Priyank Kumar, Boris I. Yakobson, Ajit Roy, Yan Jiao, Klaus Regenauer-Lieb, David Nguyen, and Zhenhai Xia

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Abstract

Catalysis is crucial for clean energy, green chemistry, and environmental remediation, but traditional methods rely on expensive and scarce precious metals. This review addresses this challenge by highlighting the promise of earth-abundant catalysts and the recent advancements in their rational design. Innovative strategies such as physics-inspired descriptors, high-throughput computational techniques, and artificial intelligence (AI)-assisted design with machine learning (ML) are explored, moving beyond time-consuming trial-and-error approaches. Additionally, biomimicry, inspired by efficient enzymes in nature, offers valuable insights. This review systematically analyses these design strategies, providing a roadmap for developing high-performance catalysts from abundant elements. Clean energy applications (water splitting, fuel cells, batteries) and green chemistry (ammonia synthesis, CO2 reduction) are targeted while delving into the fundamental principles, biomimetic approaches, and current challenges in this field. The way to a more sustainable future is paved by overcoming catalyst scarcity through rational design.

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Special Issue: 75th Anniversary of University of New South Wales and Commencement of Australian Research Council Centre of Excellence for Carbon Science and Innovation. Published online: July 31, 2024

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© 2024 The Author(s). Advanced Materials published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

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