Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba₃Sc₂O₅Cu₂Se₂, Ba₃Y₂O₅Cu₂S₂, Ba₃Sc₂O₅Ag₂Se₂ and Ba₃In₂O₅Ag₂Se₂.

ABSTRACT: Four novel compositions containing chalcogenide layers, adopting the Ba₃M₂O₅M'₂Ch₂ layered structure have been identified: Ba₃Sc₂O₅Cu₂Se₂, Ba₃Y₂O₅Cu₂S₂, Ba₃Sc₂O₅Ag₂Se₂ and Ba₃In₂O₅Ag₂Se₂. A comprehensive comparison of experimental and computational results providing the crystallographic and electronic structure of the compounds under investigation has been conducted. Materials were synthesised at 800 °C under vacuum using a conventional ceramic synthesis route with combination of binary oxide and chalcogenide precursors

SUBMITTER: Limburn GJ 

PROVIDER: S-EPMC9558239 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature