A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al2O3-SiO2 phase field - Archive ouverte HAL Access content directly
Journal Articles Chemical Communications Year : 2023

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

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.
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hal-04178099 , version 1 (07-08-2023)

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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⟩
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