Surface-dependent properties and morphological transformations of rutile GeO2 nanoparticles Abstract: Recently, the knowledge of surface-dependent properties has attracted a lot of attention since it is crucial for materials functionalization based on the morphological control of […]
Quantitative evaluation of the surface stability and morphological changes of Cu2O particles Abstract: Cu2O low-index surfaces periodic models have been simulated based on density functional theory. The calculated surfaces energies allowed estimating the morphology by […]
Computational Simulations of Morphological Transformations by Surface Structures: The Case of Rutile TiO2 phase Abstract: Computational simulations based on periodic density functional theory have been carried out to investigate the control of crystal morphology by accurate […]
Copyright © 2018 | Centro de Desenvolvimento de Materiais Funcionais