Migration of zeolite-encapsulated subnanometre platinum clusters <i>via</i> reactive neural network potentials
Christopher J. Heard, Lukáš Grajciar, Andreas Erlebach
Abstract
Pt atoms and small clusters move through the zeolite framework via distinct mechanisms, leading to complex size-dependent diffusivity.
Topics & Concepts
ZeoliteThermal diffusivityPlatinumMaterials scienceChemical engineeringNanotechnologyChemical physicsCatalysisChemistryOrganic chemistryThermodynamicsPhysicsEngineeringMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Memory and Neural Computing