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

Euan M. Duncan (1) , Amandine Ridouard (1) , Franck Fayon (1) , Emmanuel Veron (1) , Cécile Genevois (1) , Mathieu Allix (1) , Christopher Collins (2) , Michael J Pitcher (1)

1 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
2 University of Liverpool

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.

Domaines: Chimie inorganique

Euan M. Duncan, Amandine Ridouard, Franck Fayon, Emmanuel Veron, Cécile Genevois, et al.. A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al2O3-SiO2 phase field. Chemical Communications, 2023, 59, pp.10544-10547. ⟨10.1039/D3CC03120A⟩. ⟨hal-04178099⟩