Direct conversion of methane to methanol on boron nitride-supported copper single atoms
Sanmei Wang, Xin Yue, Jinyun Yuan, Liangbing Wang, Wenhua Zhang
Abstract
-BN for DMTM. In addition, the adsorption free energy of *O atoms produced by the dissociation of O-donor molecules is a suitable descriptor for predicting the catalytic performance of materials and accelerating the discovery of catalysts for DMTM. This work opens new avenues to develop highly efficient catalysts for DMTM.
Topics & Concepts
CatalysisBoron nitrideMethanolCopperMethaneDissociation (chemistry)Density functional theoryAdsorptionMaterials scienceMoleculeDesorptionBoronInorganic chemistryChemical engineeringPhysical chemistryChemistryComputational chemistryNanotechnologyOrganic chemistryMetallurgyEngineeringCatalytic Processes in Materials ScienceMetal-Organic Frameworks: Synthesis and ApplicationsCatalysis and Oxidation Reactions