First principles simulations of MgO(100) surface hydration at ambient conditions
Michel Sassi, Kevin M. Rosso
Abstract
, a thermodynamically downhill alteration of the surface that must be independently ruled out before one can be fully confident in the apparent theory/vSFG agreement. Our study provides more insights into the ordering and structure of water monolayer at MgO(100) surface at ambient conditions and completes previous theoretical and experimental analysis performed at low temperature and ultra-high vacuum conditions.
Topics & Concepts
Surface (topology)Chemical physicsMaterials scienceThermodynamicsChemical engineeringChemistryPhysicsMathematicsGeometryEngineeringNuclear Physics and ApplicationsGeophysical and Geoelectrical MethodsGeophysical Methods and Applications