Adsorption and Absorption Energies of Hydrogen with Palladium
Michael Schwarzer, Nils Hertl, Florian Nitz, Dmitriy Borodin, Jan Fingerhut, Theofanis N. Kitsopoulos, Alec M. Wodtke
Abstract
= 0.43 eV. Detailed insights into the process of transient bulk diffusion are obtained from kinetic Monte Carlo simulations.
Topics & Concepts
Kinetic energyHydrogenAdsorptionDeuteriumDesorptionAtomic physicsDiffusionKinetic isotope effectChemistryActivation energyKinetic Monte CarloAtom (system on chip)Binding energyMonte Carlo methodMaterials sciencePhysical chemistryThermodynamicsPhysicsQuantum mechanicsStatisticsOrganic chemistryMathematicsComputer scienceEmbedded systemAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials Science