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Effects of Sc-doping and hydration on the band gap parameters of BaSnO3статья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 1 апреля 2026 г.
- Авторы: Vlasov Maxim, Zainullina Veronika, Korotin Michael, Tsymbarenko Dmitry, Akopyan Mariam, Starostina Inna, Medvedev Dmitry, Weinstein Ilya
- Журнал: Journal of Solid State Chemistry
- Том: 359
- Год издания: 2026
- Издательство: Elsevier B.V.
- Местоположение издательства: Netherlands
- Номер статьи: 125971
- DOI: 10.1016/j.jssc.2026.125971
- Аннотация: BaSnO3 is one of the materials prospective for high-temperature proton-conducting membranes. For that purpose, it is subjected to acceptor doping – BaSn1-xMxO3-δ (M = M3+ metal). This provides appearance of oxygen vacancies in the crystal structure allowing for further hydration and, consequently, proton conductivity. Such doping, oxygen vacancies formation, and hydration influence materials electronic properties in the vicinity of the band gap. However, for BaSnO3, as a proton conducting oxide, such effects have not been considered before. This work aims to experimentally and theoretically reveal changes in the band gap parameters of BaSn1-xScxO3-δ depending on the dopant concentration x and hydration. The results obtained indicate on strong concentration dependence of the band gap parameters, showing three distinct ranges: x ≤ 0.10, 0.15 ≤ x ≤ 0.20, and x ≥ 0.25. This effect arises mainly from redistribution of the Sn 5s- and Sc 3d-states in the conduction band. In general, Sc doping gradually increases the band gap of the BaSnO3 from 3.04 eV at x = 0 to 3.63 eV at x = 0.37. Effect of hydration is even more complex, with no changes of the band gap at x ≤ 0.10, and with transformation of the absorption edge shape and the band gap increase at x ≥ 0.15. Besides, absorption spectra of BaSnO3 show no typical for acceptor-doped oxides oxygen vacancy peak near the absorption edge. Thus, such behavior of BaSnO3 differs significantly from that for other similar proton-conducting perovskites, making it intriguing material for further deeper studies.
- Добавил в систему: Цымбаренко Дмитрий Михайлович