Nitrogen fixation on a single Mo atom embedded stanene monolayer: a computational study
Yao Tan, Ying Xu, Zhimin Ao
Abstract
relative to H, competition from the hydrogen evolution reaction (HER) can be inhibited effectively. The fairly low over-potential and high electrical conductivity make Mo-embedded stanene promising for NRR. Our theoretical results indicate that stanene could be a new and effective anchoring material for TM-based catalysts for NRR.
Topics & Concepts
CatalysisMonolayerTransition metalChemistryAdsorptionHydrogenMaterials scienceNanotechnologyPhysical chemistryOrganic chemistryAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and MaterialsCatalytic Processes in Materials Science