Machine learning high-throughput screening of rare earth SACs with different coordination environments for the HER
Meiling Liu, Qiming Fu, Wei Zhong, Shaik Gouse Peera, Chao Liu
Abstract
This study identified three potential rare earth single-atom catalysts (ScN 6 C 0 , LaN 0 C 6 and LuN 6 C 0 ) for the HER (|Δ G *H | < 0.20 eV).
Topics & Concepts
Rare earthArtificial intelligenceComputer scienceMachine learningMean squared errorEarth observationPattern recognition (psychology)Data miningEarth observation satelliteCatalysisAlgorithmChemistryTraining setBiological systemMachine Learning in Materials ScienceCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science