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dc.contributor.authorReischl, Bernhard
dc.contributor.authorRaiteri, Paolo
dc.contributor.authorGale, Julian
dc.contributor.authorRohl, Andrew
dc.identifier.citationReischl, 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.

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.

dc.publisherThe American Physical Society
dc.titleCan Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?
dc.typeJournal Article
dcterms.source.titlePhysical Review Letters

© 2016 American Physical Society

curtin.departmentNanochemistry Research Institute
curtin.accessStatusOpen access

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