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Electric Double Layer at Metal Oxide Surfaces: Static Properties of the Cassiterite-Water Interface
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SYSNO ASEP 0099465 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Electric Double Layer at Metal Oxide Surfaces: Static Properties of the Cassiterite-Water Interface Title Elektrická dvojvrstva na površích oxidů kovů: Statické vlastnosti rozhraní kasiteritu a vody Author(s) Vlček, Lukáš (UCHP-M)
Zhang, Z. (US)
Machesky, M.L. (US)
Fenter, P. (US)
Rosenqvist, J. (US)
Wesolowski, D.J. (US)
Anovitz, L. M. (US)
Předota, Milan (UCHP-M) RID, ORCID, SAI
Cummings, P.T. (US)Source Title Langmuir. - : American Chemical Society - ISSN 0743-7463
Roč. 23, č. 9 (2007), s. 4925-4937Number of pages 13 s. Language eng - English Country US - United States Keywords electric double layer ; cassiterite ; water Subject RIV CF - Physical ; Theoretical Chemistry Next source Non-public resourcesNon-public resourcesNon-public resources CEZ AV0Z40720504 - UCHP-M (2005-2011) Annotation The structure of water at the (110) surface of cassiterite (alpha-SnO2) at ambient conditions was studied by means of molecular dynamics simulations and X-ray crystal truncation rod experiments and interpreted with the help of the revised MUSIC model of surface protonation. Density distributions of water for different types of surfaces were measured and compared to experimental axial density distributions found by X-ray experiments. The explanation of structures observed in the density distributions was provided by a detailed analysis of hydrogen bonding in the interfacial region. It revealed qualitatively different hydrating patterns formed at neutral hydroxylated and nonhydroxylated surfaces and suggested a preference for the dissociative adsorption of water. A link to macroscopic properties was provided by the revised MUSIC surface protonation model, whose prediction of a pH of zero net-proton induced surface charge agreed very well with those determined experimentally (about 4.4 at 298 K). Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2008
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