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    Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?

    248296.pdf (12.02Mb)
    Access Status
    Open access
    Authors
    Reischl, Bernhard
    Raiteri, Paolo
    Gale, Julian
    Rohl, Andrew
    Date
    2016
    Type
    Journal Article
    
    Metadata
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    Citation
    Reischl, B. and Raiteri, P. and Gale, J. and Rohl, A. 2016. Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy? Physical Review Letters. 117: 226101.
    Source Title
    Physical Review Letters
    DOI
    10.1103/PhysRevLett.117.226101
    ISSN
    1079-7114
    School
    Nanochemistry Research Institute
    Remarks

    © 2016 American Physical Society

    URI
    http://hdl.handle.net/20.500.11937/50825
    Collection
    • Curtin Research Publications
    Abstract

    While the atomic force microscope (AFM) is able to image mineral surfaces in solution with atomic resolution, so far, it has been a matter of debate whether imaging point defects is also possible under these conditions. The difficulties stem from the limited knowledge of what types of defects may be stable in the presence of an AFM tip, as well as from the complicated imaging mechanism involving interactions between hydration layers over the surface and around the tip apex. Here, we present atomistic molecular dynamics and free energy calculations of the AFM imaging of vacancies and ionic substitutions in the calcite (10-14) surface in water, using a new silica AFM tip model. Our results indicate that both calcium and carbonate vacancies, as well as a magnesium substitution, could be resolved in an AFM experiment, albeit with different imaging mechanisms.

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