A dynamic reaction density functional theory for interfacial reaction-diffusion coupling at nanoscale
Weiqiang Tang, Hongping Yu, Teng Zhao, Leying Qing, Xiaofei Xu, Shuangliang Zhao
Topics & Concepts
Density functional theoryReaction rateDiffusionAdsorptionCoupling reactionReaction–diffusion systemSubstrate (aquarium)Chemical reactionThermodynamicsCoupling (piping)Chemical physicsChemistryChemical reaction engineeringWork (physics)Chemical kineticsReaction mechanismNanoscopic scaleMaterials scienceActivation energyCatalysisComputational chemistryPhysical chemistryNanotechnologyKineticsPhysicsClassical mechanicsComposite materialOrganic chemistryGeologyOceanographyMolecular Junctions and NanostructuresNanopore and Nanochannel Transport StudiesElectrocatalysts for Energy Conversion