A comparative analysis of different van der Waals treatments for molecular adsorption on the basal plane of 2H-MoS2
Srinivas Rangarajan, Manos Mavrikakis
Topics & Concepts
Chemistryvan der Waals forceAdsorptionThiopheneDispersion (optics)Density functional theoryPhysical chemistryBinding energyMoleculeHydrogenAnalytical Chemistry (journal)Computational chemistryAtomic physicsOrganic chemistryOpticsPhysics2D Materials and ApplicationsCatalysis and Hydrodesulfurization StudiesElectrocatalysts for Energy Conversion