Reactive molecular dynamics simulations of nickel-based heterometallic catalysts for hydrogen evolution in an alkaline KOH solution
Sunday Temitope Oyinbo, Tien‐Chien Jen
Topics & Concepts
CatalysisReaxFFNickelHydroxideInorganic chemistryTransition metalOxidePlatinumPotassium hydroxideChemistryAlkali metalMetalHydrogenMaterials scienceMolecular dynamicsChemical engineeringOrganic chemistryComputational chemistryInteratomic potentialEngineeringElectrocatalysts for Energy ConversionAdvanced battery technologies researchCatalysis and Hydrodesulfurization Studies