Computational discovery of fast interstitial oxygen conductors

Nature Materials, Published online: 13 June 2024; doi:10.1038/s41563-024-01919-8

Interstitial oxygen conductors have the potential to enable efficient oxygen-ion transport at lower temperatures. An approach combining physically motivated structure and property descriptors, ab initio simulations and experiments is now proposed for the discovery of fast interstitial oxygen conductors.Nature Materials, Published online: 13 June 2024; doi:10.1038/s41563-024-01919-8Interstitial oxygen conductors have the potential to enable efficient oxygen-ion transport at lower temperatures. An approach combining physically motivated structure and property descriptors, ab initio simulations and experiments is now proposed for the discovery of fast interstitial oxygen conductors. Read More