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