Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts
Haojun Jia, Aditya Nandy, Mingjie Liu, Heather J. Kulik
Abstract
Computational studies of structural and catalytic properties of single atom catalysts suggest they are attractive candidates for methane-to-methanol conversion.
Topics & Concepts
MethanolCatalysisMethaneDopantRigidity (electromagnetism)Atom (system on chip)Materials scienceChemistryOrganic chemistryDopingComposite materialComputer scienceOptoelectronicsEmbedded systemCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsElectrocatalysts for Energy Conversion