Ab initio molecular dynamics investigation of Cs adsorption on Mo(0 0 1): Beyond a single monolayer coverage
Halima Said, Michal Novotný, Ivan Černušák, Tomáš Bučko
Topics & Concepts
MonolayerAdsorptionAb initioMolecular dynamicsChemical physicsComputational chemistryMaterials scienceAb initio quantum chemistry methodsChemistryPhysical chemistryNanotechnologyMoleculeOrganic chemistryAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen ReductionFusion materials and technologies