Using ternary steric hindrance synergy of a defective MoS<sub>2</sub> monolayer to manipulate the electrocatalytic mechanism toward nitric oxide reduction: a first-principles and machine learning study
Lei Yang, Jiake Fan, Weihua Zhu
Abstract
The complex competing electroreduction reaction pathways in the nitric oxide reduction reaction are guided in the expected direction by taking advantage of the innate steric hindrance of defective MoS 2 .
Topics & Concepts
Steric effectsTernary operationNitric oxideMonolayerReduction (mathematics)Mechanism (biology)OxideChemistryReaction mechanismMaterials scienceCatalysisStereochemistryComputer scienceOrganic chemistryBiochemistryProgramming languageMathematicsGeometryPhilosophyEpistemologyElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis Techniques