dc.contributor.author | Meng, X-Z | en_US |
dc.contributor.author | Li, X-R | en_US |
dc.contributor.author | Li, F | en_US |
dc.contributor.author | Yan, H-J | en_US |
dc.contributor.author | Zhang, Q-H | en_US |
dc.contributor.author | Wu, L-K | en_US |
dc.contributor.author | Di Tommaso, D | en_US |
dc.contributor.author | Cao, F-H | en_US |
dc.date.accessioned | 2023-12-06T10:03:09Z | |
dc.date.available | 2023-12-06T10:03:09Z | |
dc.date.issued | 2023-11-29 | en_US |
dc.identifier.uri | https://qmro.qmul.ac.uk/xmlui/handle/123456789/92659 | |
dc.description.abstract | Titanium and its alloys are protected by a compact and stable passive film, which confers resistance to corrosion by the primary halogen chloride (Cl-) while being less effective against fluoride (F-). Although researchers have recognized different macroscopic corrosion effects of these halide ions on titanium, the underlying mechanisms remain largely unexplored. In this work, the bonding of Cl-/F- with stable passive films was studied in neutral and acidic (pH = 2.3) conditions. The synergistic effect between the interfacial hydrogen bond (HB) structure and halogens on titanium corrosion was first revealed using first-principles calculation and Raman spectroscopy. F- forms more stable halogen-Ti bonds than Cl-, resulting in titanium degradation. The proton combined with F- exhibits a specific synergistic effect, causing corrosion of the passive film. The water hydrogen bond transformation index (HBTI) at the titanium/aqueous interface was 1.88 in an acidic solution containing F-, significantly higher than that in neutral/acid solutions containing Cl- (1.80/1.81) and a neutral solution containing F- (1.81). This work clarifies the structure-activity relationship between HBTI and the destruction of titanium passive films. We propose that the microstructure of the interfacial HB is an undeniable factor in the corrosion of titanium. | en_US |
dc.language | eng | en_US |
dc.relation.ispartof | Langmuir | en_US |
dc.title | Molecular Insights into the Stability of Titanium in Electrolytes Containing Chlorine and Fluorine Ions. | en_US |
dc.type | Article | |
dc.rights.holder | Copyright © 2023, American Chemical Society | |
dc.identifier.doi | 10.1021/acs.langmuir.3c02484 | en_US |
pubs.author-url | https://www.ncbi.nlm.nih.gov/pubmed/38031448 | en_US |
pubs.notes | Not known | en_US |
pubs.publication-status | Published online | en_US |