Machine Learning Accelerated Discovery of Subnanoparticles for Electrocatalytic Hydrogen Evolution

Metal and alloy subnanoparticles (SNPs) have been anticipated to be a class of promising catalysts because of their fundamental difference from nanoparticles (NPs). In general, the interaction among the surface and bulk atoms of SNPs is significant due to the higher degree of alloying in SNPs than that in NPs counterparts. This study compared the SNPs and NPs concerning their electrocatalytic activities of hydrogen evolution reaction (HER) to understand the essential difference between alloy SNPs and NPs by using machine learning.