Influence of Sr-Site Deficiency, Ca/Ba/La Doping on the Exsolution of Ni from SrTiO3

Willis O’Leary, Livia Giordano, Jieun Park, Stephen S. Nonnenmann, Yang Shao-Horn, Jennifer L.M. Rupp

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


Cermet catalysts formed via exsolution of metal nanoparticles from perovskites promise to perform better in electro- and thermochemical applications than those synthesized by conventional wet-chemical approaches. However, a shortage of robust material design principles still stands in the way of widespread commercial adoption of exsolution. Working with Ni-doped SrTiO3 solid solutions, we investigated how the introduction of Sr deficiency as well as Ca, Ba, and La doping on the Sr site changed the size and surface density of exsolved Ni nanoparticles. We carried out exsolution on 11 different compositions under fixed conditions. We elucidated the effect of A-site defect size/valence on nanoparticle density and size as well as the effect of composition on nanoparticle immersion and ceramic microstructure. Based on our experimental results, we developed a model that quantitatively predicted a composition’s exsolution properties using density functional theory calculations. The model and calculations provide insights into the exsolution mechanism and can be used to find new compositions with high exsolution nanoparticle density.

Original languageEnglish
Pages (from-to)13768-13779
Number of pages12
JournalJournal of the American Chemical Society
Issue number25
StatePublished - 28 Jun 2023


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