Atomic origin of the morphological evolution of aluminum hydride (AlH3) nanoparticles during oxidation using reactive force field simulations
Liang Song, Fengqi Zhao, Siyu Xu, Xue‐Hai Ju
Topics & Concepts
DehydrogenationNanoparticleReaxFFMetalMaterials scienceHydrogenMolecular dynamicsChemical physicsOxideHydrideChemical engineeringChemistryNanotechnologyComputational chemistryCatalysisMetallurgyInteratomic potentialOrganic chemistryEngineeringBiochemistryCatalytic Processes in Materials ScienceEnergetic Materials and CombustionHydrogen Storage and Materials