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Developing easily accessible descriptors is crucial but challenging to rationally design single‐atom catalysts (SACs). This paper describes a simple and interpretable activity descriptor, which is easily obtained from the atomic databases. The defined descriptor proves to accelerate high‐throughput screening of more than 700 graphene‐based SACs without computations, universal for 3–5d transition metals...
Developing easily accessible descriptors is crucial but challenging to rationally design single‐atom catalysts (SACs). This paper describes a simple and interpretable activity descriptor, which is easily obtained from the atomic databases. The defined descriptor proves to accelerate high‐throughput screening of more than 700 graphene‐based SACs without computations, universal for 3–5d transition metals...
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