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231226s2023 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.3c02484
|2 doi
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|a DE-627
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|a eng
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| 100 |
1 |
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|a Meng, Xian-Ze
|e verfasserin
|4 aut
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| 245 |
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|a Molecular Insights into the Stability of Titanium in Electrolytes Containing Chlorine and Fluorine Ions
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|c 2023
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 12.12.2023
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a 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
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|a Journal Article
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| 700 |
1 |
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|a Li, Xin-Ran
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Fei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Yan, Hao-Jie
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhang, Qin-Hao
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Wu, Lian-Kui
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Di Tommaso, Devis
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Cao, Fa-He
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 39(2023), 49 vom: 12. Dez., Seite 17853-17861
|w (DE-627)NLM098181009
|x 1520-5827
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| 773 |
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|g volume:39
|g year:2023
|g number:49
|g day:12
|g month:12
|g pages:17853-17861
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|u http://dx.doi.org/10.1021/acs.langmuir.3c02484
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