Defect thermodynamics of orthorhombic Ba2In2O5: First-principles calculations on the role of oxygen dumbbell interstitials

Solid State Ionics 2026 Open access

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Authors: Rachele Sciotto, Karsten Albe
DOI: 10.1016/j.ssi.2026.117231
Cited by: 0
References: 44

Abstract

• Oxygen dumbbells and vacancy-site interstitials form in BIO at high p O 2 . • Oxygen dumbbells are neutral and do not contribute to charge compensation. • Oxygen dumbbells form stable associates with oxygen vacancies. • Oxygen dumbbells need to be considered when oxygen diffusion in BIO is discussed.

Fields of Study & Subjects

Advancements in Solid Oxide Fuel Cells Chemical and Physical Properties of Materials Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Solid State Ionics
Volume
443
Pages
117231–117231
Publication date
26 May 2026
Language
EN