Direct in-situ insights into the asymmetric surface reconstruction of rutile TiO<sub>2</sub> (110).
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 38388567.
- Also identified by DOI 10.1038/s41467-024-46011-6 and PMC identifier 10883989.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
The reconstruction of rutile TiO<sub>2</sub> (110) holds significant importance as it profoundly influences the surface chemistry and catalytic properties of this widely used material in various applications, from photocatalysis to solar energy conversion. Here, we directly observe the asymmetric surface reconstruction of rutile TiO<sub>2</sub> (110)-(1×2) with atomic-resolution using in situ spherical aberration-corrected scanning transmission electron microscopy. Density functional theory calculations were employed to complement the experimental observations. Our findings highlight the pivotal role played by repulsive electrostatic interaction among the small polarons -formed by excess electrons following the removal of neutral oxygen atoms- and the subsequent surface relaxations induced by these polarons. The emergence and disappearance of these asymmetric structures can be controlled by adjusting the oxygen partial pressure. This research provides a deeper understanding, prediction, and manipulation of the surface reconstructions of rutile TiO<sub>2</sub> (110), holding implications for a diverse range of applications and technological advancements involving rutile-based materials.