Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction
Haicai Huang, Yang Zhao, Jing Wang, Jun Li, Jing Chen, Qiang Fu, Yuxiang Bu, Shi‐Bo Cheng
Abstract
A highly efficient and reliable descriptor is proposed offering a strategy to rationally design SACs for the HER conveniently and quickly.
Topics & Concepts
Rational designCatalysisHydrogen atomAtom (system on chip)Computer scienceCombinatorial chemistryChemistryNanotechnologyMaterials scienceEmbedded systemOrganic chemistryAlkylElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceAdvanced Photocatalysis Techniques