Water confined at the nanoscale: insight from first principles calculations

COFFEE_KLATCH  · Invited

Abstract

We will discuss structural, vibrational and electronic properties of water confined between non polar surfaces, as obtained from a series of ab-initio simulations. In particular we consider graphene, carbon nanotubes and hydrogenated diamond surfaces as confining media and we present a discussion of so called hydrophobic interactions, taking into account the details of the interface electronic properties.

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Authors

  • Giulia Galli

    • Dept. of Chemistry and Dept. of Physics, UC Davis
    • Department of Chemistry and Department of Physics, University of California Davis
    • Dept of Chemistry \& Dept Physics, UC Davis
    • Department of Chemistry and Department of Physics, UC Davis, USA
    • Department of Chemistry and Department of Physics, University of California, Davis
    • UC Davis
    • Department of Chemistry, University of California, Davis, USA
    • University of California, Davis
    • Department of Chemistry and Department of Physics, University of California, Davis, CA, 95616
    • Department of Chemistry and Department of Physics, University of California, Davis, CA 95616
    • Chemistry Department and Physics Department UC Davis, Davis CA