Single‐Atom Heterogeneous Catalysts: Human‐ and AI‐Driven Platform for Augmented Designs, Analytics and Reality‐Enabled Manufacturing

Author:

Cheng Lei1,Tang Yawen1,Ostrikov Kostya (Ken)2,Xiang Quanjun3ORCID

Affiliation:

1. School of Chemistry and Materials Science Jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Center of Biomedical Functional Materials Nanjing Normal University Nanjing 210023 P. R. China

2. School of Chemistry and Physics and Centre for Materials Science Queensland University of Technology (QUT) Brisbane Queensland 4000 Australia

3. School of Electronic Science and Engineering University of Electronic Science and Technology of China Chengdu Sichuan 611731 P. R. China

Abstract

AbstractHeterogeneous catalysts with targeted functionality can be designed with atomic precision, but it is challenging to retain the structure and performance upon the scaled‐up manufacturing. Particularly challenging is to ensure the “atomic economy”, where every catalytic site is most gainfully utilized. Given the emerging synergistic integration of human‐ and artificial intelligence (AI)‐driven augmented designs (AD), augmented analytics (AA), and augmented reality manufacturing (AM) platforms, this minireview focuses on single‐atom heterogeneous catalysts (SAHCs) and examines the current status, challenges, and future perspectives of translating atomic‐level structural precision and data‐driven discovery to next‐generation industrial manufacturing. We critically examine the atomistic insights into structure‐driven SAHCs functionality and discuss the opportunities and challenges on the way towards the synergistic human‐AI collaborative data‐driven platform capable of monitoring, analyzing, manufacturing, and retaining the atomic‐scale structure and functions. Enhanced by the atomic‐level AD, AA, and AM, evolving from the current high‐throughput capabilities and digital materials manufacturing acceleration, this synergistic human‐AI platform is promising to enable atom‐efficient and atomically precise heterogeneous catalyst production.

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

General Chemistry,Catalysis

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