A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides.

ABSTRACT: Exsolution has emerged as an outstanding route for producing oxide-supported metal nanoparticles. For ABO₃-perovskite oxides, various late transition-metal cations can be substituted into the lattice under oxidizing conditions and exsolved as metal nanoparticles after reduction. A consistent and comprehensive description of the point-defect thermodynamics and kinetics of this phenomenon is lacking, however. Herein, supported by hybrid density-functional-theory calculations, we propose a single model that explains diverse experimental observations, such as why substituent transition-metal cations (but not host cations) exsolve from perovskite oxides upon reduction; why different substituent transition-metal cations exsolve under different conditions; why the metal nanopart

SUBMITTER: Bonkowski A 

PROVIDER: S-EPMC11345767 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature