Rational design of transition metal single-atom electrocatalysts: a simulation-based, machine learning-accelerated study
Lianping Wu, Tian Guo, Teng Li
Abstract
With maximum atom-utilization efficiency, single atom catalysts (SACs) are surging as a new research frontier in catalysis science.
Topics & Concepts
Atom (system on chip)Transition metalRational designMaterials scienceComputer scienceNanotechnologyChemistryEmbedded systemCatalysisBiochemistryMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionCO2 Reduction Techniques and Catalysts