Designed Y3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate

J Phys Chem C Nanomater Interfaces. 2023 Feb 2;127(8):4239-4250. doi: 10.1021/acs.jpcc.2c07353. eCollection 2023 Mar 2.


The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y2O3 improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y3+ was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc3+, In3+, Y3+, and Nd3+. The segregation energies were generally proportional to ionic radii, with Y3+ showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m2 for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10-12 cm2/s and 2.5 × 10-12 cm2/s, respectively, indicating the coarsening inhibition induced by Y3+ results from a combination of a reduced driving force (surface energy) and decreased atomic mobility.

PMID:36895659 | PMC:PMC9986873 | DOI:10.1021/acs.jpcc.2c07353


Related Posts

Leave a Reply

Your email address will not be published. Required fields are marked *

Generated by Feedzy