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    Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions

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    Publication date
    2014-12-15
    Author
    Hughes, Zak E.
    Walsh, T.R.
    Keyword
    Interfaces
    Molecular simulation
    Noble metals
    Salt solutions
    Peer-Reviewed
    Yes
    
    Metadata
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    Abstract
    We report the structure of the electrical double layer, determined from molecular dynamics simulations, for a range of saline solutions (NaCl, KCl, MgCl2 and CaCl2) at both 0.16 and 0.60 mol kg(-1) on different facets of the gold and silver aqueous interfaces. We consider the Au/Ag(111), native Au/Ag(100) and reconstructed Au(100)(5×1) facets. For a given combination of metallic surface and facet, some variations in density profile are apparent across the different cations in solution, with the corresponding chloride counterion profiles remaining broadly invariant. All density profiles at the higher concentration are predicted to be very similar to their low-concentration counterparts. We find that each electrolyte responds differently to the different metallic surface and facets, particularly those of the divalent metal ions. Our findings reveal marked differences in density profiles between facets for a given metallic interface for both Mg(2+) and Ca(2+), with Na(+) and K(+) showing much less distinction. Mg(2+) was the only ion for which we find evidence of materials-dependent differences in interfacial solution structuring between the Ag and Au.
    URI
    http://hdl.handle.net/10454/16949
    Version
    No full-text in the repository
    Citation
    Hughes ZE and Walsh TR (2014) Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions. Journal of Colloid and Interface Science. 436: 99-110.
    Link to publisher’s version
    https://doi.org/10.1016/j.jcis.2014.08.045
    Type
    Article
    Collections
    Life Sciences Publications

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