Molecular dynamics investigation of the structural and energetic properties of CeO<sub>2</sub>–MO<sub><i>x</i></sub> (M = Gd, La, Ce, Zr) nanoparticles
João Paulo Almeida de Mendonça, Tuanan C. Lourenço, Luis Paulo Mezzina Freitas, Anderson A. E. Santo, Gustavo T. Feliciano, Juarez L. F. Da Silva
Abstract
CeO 2 -based materials have played a critical role in catalysis, where the substrate particles have reduced in size year by year due to experimental achievements in synthesis control.
Topics & Concepts
NanoparticleMolecular dynamicsMaterials scienceCrystallographyChemical physicsNanotechnologyChemistryComputational chemistryCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsElectrocatalysts for Energy Conversion