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

Research output: Contribution to journalArticle

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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 languageEnglish (US)
Pages (from-to)4954-4969
Number of pages16
JournalLangmuir
Volume20
Issue number12
DOIs
Publication statusPublished - Jun 8 2004

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All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

Cite this

Zhang, Z., Fenter, P., Cheng, L., Sturchio, N. C., Bedzyk, M. J., Předota, M., ... 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