Screened (Co, Rh, Ir)–N4 graphene single atom catalysts for hydrogen production via tunable surrounding coordination shell: Computation and machine learning
Jiu-Ning Wang, Wei Xu, Hao Ma, Qasim Qasim, Wanglai Cen
Topics & Concepts
GrapheneCatalysisComputationHydrogen productionShell (structure)Hydrogen atomHydrogenAtom (system on chip)Materials scienceChemistryNanotechnologyComputer scienceParallel computingOrganic chemistryComposite materialAlgorithmAlkylMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionCatalysis and Hydrodesulfurization Studies