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231225s2022 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.1c02474
|2 doi
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|a pubmed24n1115.xml
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|a (NLM)34936360
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|a DE-627
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|a eng
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| 100 |
1 |
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|a Lu, Shaoyu
|e verfasserin
|4 aut
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|a Hydration of TiO2 Facets Regulates As(III) Adsorption
|b DFT and DRIFTS Study
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|c 2022
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 11.01.2022
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Hydration of TiO2 facets controls the reactions occurring at the mineral-water interfaces. However, the underlying mechanism of the facet-dependent hydration and the effect of hydration on contaminant adsorption are still ambiguous. Herein, arsenite [As(III)] adsorption on hydrated {001}, {100}, {101}, and {201} TiO2 was explored by integrating multiple characterizations and density functional theory (DFT) calculations. Our macroscopic adsorption results show an As(III) adsorption density order of {201} > {100} > {101} > {001}, though As(III) on each facet formed a bidentate binuclear structure, as evidenced by the extended X-ray absorption fine structure analysis. The in situ diffuse reflectance infrared Fourier transform spectroscopy analysis identified distinctive surface hydroxyls on four-faceted TiO2 upon water adsorption. The hydrated surface regulated the subsequent As(III) adsorption, giving an As(III) adsorption energy order of {201} (-0.95 eV) < {100} (-0.38 eV) < {101} (-0.005 eV) < {001} (0.04 eV) according to DFT calculations. The As(III) adsorption energy on hydrated facets was linearly correlated with the macroscopical As(III) adsorption density (R2 = 0.99, p < 0.05), revealing that the impregnable water binding highly suppressed the exchange of As(III) molecules with adsorbed water. Our study provided a novel insight into the facet-dependent interfacial adsorption
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|a Journal Article
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1 |
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|a Yan, Li
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhong, Wen
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Jing, Chuanyong
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 38(2022), 1 vom: 11. Jan., Seite 275-281
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:38
|g year:2022
|g number:1
|g day:11
|g month:01
|g pages:275-281
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|u http://dx.doi.org/10.1021/acs.langmuir.1c02474
|3 Volltext
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