Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties

Z. Zhang; P. Fenter; L. Cheng; N. C. Sturchio; M. J. Bedzyk; M. Předota; A. Bandura; J. D. Kubicki; S. N. Lvov; P. T. Cummings; A. A. Chialvo; M. K. Ridley; P. Bénézeth; L. Anovitz; D. A. Palmer; M. L. Machesky; D. J. Wesolowski

doi:10.1021/la0353834

Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties

Z. Zhang, P. Fenter, L. Cheng, N. C. Sturchio, M. J. Bedzyk, M. Předota, A. Bandura, J. D. Kubicki, S. N. Lvov, P. T. Cummings, A. A. Chialvo, M. K. Ridley, P. Bénézeth, L. Anovitz, D. A. Palmer, M. L. Machesky, D. J. Wesolowski

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300 Scopus citations

Abstract

An understanding of the solution-crystal interface that connects the actual molecular structures to the macroscopic properties, was obtained, by combining in situ synchrotron X-ray measurements on submerged rutile single crystal surfaces with ab inito calculations, molecular dynamic simulations, and macroscopic ion adsorption data. All X-ray, ab inito, molecular dynamics, and ion adsorption results were broadly compatible with a Stern-based description of EDL structure. All cations were found to be adsorbed as 'inner sphere' species bonded directly to surface oxygen atoms. A link between macroscopic manifestations of metal oxide surface charging and ion adsorption and the molecule-scale interfacial structures was established.

Original language	English (US)
Pages (from-to)	4954-4969
Number of pages	16
Journal	Langmuir
Volume	20
Issue number	12
DOIs	https://doi.org/10.1021/la0353834
State	Published - Jun 8 2004

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Surfaces and Interfaces
Spectroscopy
Electrochemistry

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10.1021/la0353834

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Zhang, Z., Fenter, P., Cheng, L., Sturchio, N. C., Bedzyk, M. J., Předota, M., Bandura, A., Kubicki, J. D., Lvov, S. N., Cummings, P. T., Chialvo, A. A., Ridley, M. K., Bénézeth, P., Anovitz, L., Palmer, D. A., Machesky, M. L., & Wesolowski, D. J. (2004). Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties. Langmuir, 20(12), 4954-4969. https://doi.org/10.1021/la0353834

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title = "Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties",

abstract = "An understanding of the solution-crystal interface that connects the actual molecular structures to the macroscopic properties, was obtained, by combining in situ synchrotron X-ray measurements on submerged rutile single crystal surfaces with ab inito calculations, molecular dynamic simulations, and macroscopic ion adsorption data. All X-ray, ab inito, molecular dynamics, and ion adsorption results were broadly compatible with a Stern-based description of EDL structure. All cations were found to be adsorbed as 'inner sphere' species bonded directly to surface oxygen atoms. A link between macroscopic manifestations of metal oxide surface charging and ion adsorption and the molecule-scale interfacial structures was established.",

author = "Z. Zhang and P. Fenter and L. Cheng and Sturchio, {N. C.} and Bedzyk, {M. J.} and M. P{\v r}edota and A. Bandura and Kubicki, {J. D.} and Lvov, {S. N.} and Cummings, {P. T.} and Chialvo, {A. A.} and Ridley, {M. K.} and P. B{\'e}n{\'e}zeth and L. Anovitz and Palmer, {D. A.} and Machesky, {M. L.} and Wesolowski, {D. J.}",

year = "2004",

month = jun,

day = "8",

doi = "10.1021/la0353834",

language = "English (US)",

volume = "20",

pages = "4954--4969",

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Zhang, Z, Fenter, P, Cheng, L, Sturchio, NC, Bedzyk, MJ, Předota, M, Bandura, A, Kubicki, JD, Lvov, SN, Cummings, PT, Chialvo, AA, Ridley, MK, Bénézeth, P, Anovitz, L, Palmer, DA, Machesky, ML & Wesolowski, DJ 2004, 'Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties', Langmuir, vol. 20, no. 12, pp. 4954-4969. https://doi.org/10.1021/la0353834

TY - JOUR

T1 - Ion adsorption at the rutile-water interface

T2 - Linking molecular and macroscopic properties

AU - Zhang, Z.

AU - Fenter, P.

AU - Cheng, L.

AU - Sturchio, N. C.

AU - Bedzyk, M. J.

AU - Předota, M.

AU - Bandura, A.

AU - Kubicki, J. D.

AU - Lvov, S. N.

AU - Cummings, P. T.

AU - Chialvo, A. A.

AU - Ridley, M. K.

AU - Bénézeth, P.

AU - Anovitz, L.

AU - Palmer, D. A.

AU - Machesky, M. L.

AU - Wesolowski, D. J.

PY - 2004/6/8

Y1 - 2004/6/8

N2 - An understanding of the solution-crystal interface that connects the actual molecular structures to the macroscopic properties, was obtained, by combining in situ synchrotron X-ray measurements on submerged rutile single crystal surfaces with ab inito calculations, molecular dynamic simulations, and macroscopic ion adsorption data. All X-ray, ab inito, molecular dynamics, and ion adsorption results were broadly compatible with a Stern-based description of EDL structure. All cations were found to be adsorbed as 'inner sphere' species bonded directly to surface oxygen atoms. A link between macroscopic manifestations of metal oxide surface charging and ion adsorption and the molecule-scale interfacial structures was established.

AB - An understanding of the solution-crystal interface that connects the actual molecular structures to the macroscopic properties, was obtained, by combining in situ synchrotron X-ray measurements on submerged rutile single crystal surfaces with ab inito calculations, molecular dynamic simulations, and macroscopic ion adsorption data. All X-ray, ab inito, molecular dynamics, and ion adsorption results were broadly compatible with a Stern-based description of EDL structure. All cations were found to be adsorbed as 'inner sphere' species bonded directly to surface oxygen atoms. A link between macroscopic manifestations of metal oxide surface charging and ion adsorption and the molecule-scale interfacial structures was established.

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Ion adsorption at the rutile-water interface: Linking molecular and macroscopic properties

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