A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al2O3-SiO2 phase field

Euan M Duncan; Amandine Ridouard; Franck Fayon; Emmanuel Veron; Cécile Genevois; Mathieu Allix; Christopher M Collins; Michael J Pitcher

doi:10.1039/d3cc03120a

A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al₂O₃-SiO₂ phase field

Chem Commun (Camb). 2023 Aug 29;59(70):10544-10547. doi: 10.1039/d3cc03120a.

Authors

Euan M Duncan¹, Amandine Ridouard¹, Franck Fayon¹, Emmanuel Veron¹, Cécile Genevois¹, Mathieu Allix¹, Christopher M Collins², Michael J Pitcher¹

Affiliations

¹ CEMHTI, CNRS UPR3079, 1d Ave. de la Recherche Scientifique, Orléans 45071, France. [email protected].
² Department of Chemistry, Materials Innovation Factory, University of Liverpool, Liverpool L7 3NY, UK. [email protected].

PMID: 37566387
DOI: 10.1039/d3cc03120a

Abstract

Glass-crystallisation synthesis is coupled to probe structure prediction for the guided discovery of new metastable oxides in the SrO-Al₂O₃-SiO₂ phase field, yielding a new ternary ribbon-silicate, Sr₂Si₃O₈. In principle, this methodology can be applied to a wide range of oxide chemistries by selecting an appropriate non-equilibrium synthesis route.