Hydrogen defects in LaBi 2 O 4 X (X = Cl, Br, and I) Sillén oxyhalide phases and their impacts on ionic transport
Abstract
DFT calculations of Sillén phases reveal high proton solubility and facile 2D diffusion within Bi–O layers. The results highlight a coupled defect chemistry between hydrogen and oxygen defects for optimized transport.
Fields of Study & Subjects
Advancements in Solid Oxide Fuel Cells
Solid-state spectroscopy and crystallography
Gas Sensing Nanomaterials and Sensors
Publication details
- Journal / source
- Journal of Materials Chemistry A
- Volume
- 14
- Issue
- 23
- Pages
- 14445–14453
- Publication date
- 1 January 2026
- Language
- EN