Screening of transition metal single-atom catalysts supported by a WS<sub>2</sub> monolayer for electrocatalytic nitrogen reduction reaction: insights from activity trend and descriptor
Renyi Li, Wei Guo
Abstract
adsorption and activation. Moreover, the screened SACs possess good dispersity and thermodynamic stability. Our work provides a promising solution for the efficient screening and rational design of high-performance electrocatalysts toward the NRR.
Topics & Concepts
ChemistryCatalysisMonolayerAdsorptionSelectivityTransition metalRate-determining stepRedoxAmmonia productionPhotochemistryInorganic chemistryPhysical chemistryOrganic chemistryBiochemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion