Towards understanding the role of carbon atoms on transition metal surfaces: Implications for catalysis
Biel Martínez, Oriol Piqué, Hèctor Prats, Francesc Viñes, Francesc Illas
Topics & Concepts
CatalysisKinetic Monte CarloDensity functional theoryChemical physicsCarbon fibersTransition metalChemical stabilityMolecular dynamicsMetalMaterials scienceWork (physics)ChemistryKinetic energyComputational chemistryPhysical chemistryNanotechnologyMonte Carlo methodThermodynamicsMetallurgyOrganic chemistryPhysicsMathematicsQuantum mechanicsComposite materialStatisticsComposite numberCatalytic Processes in Materials ScienceAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen Reduction