  We analyze and compare the structural, dynamical, and electronic properties
of liquid water next to prototypical metals including Pt, graphite, and
graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD)
generated using density functional theory (DFT) which explicitly include van
der Waals (vdW) interactions within a first principles approach. All
calculations reported use large simulation cells, allowing for an accurate
treatment of the water-electrode interfaces. We have included vdW interactions
through the use of the optB86b-vdW exchange correlation functional. Comparisons
with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also
shown. We find an initial peak, due to chemisorption, in the density profile of
the liquid water-Pt interface not seen in the liquid water-graphite interface,
liquid water-graphene interface, nor interfaces studied previously. To further
investigate this chemisorption peak, we also report differences in the
electronic structure of single water molecules on both Pt and graphite
surfaces. We find that a covalent bond forms between the single water molecule
and the Pt surface, but not between the single water molecule and the graphite
surface. We also discuss the effects that defects and dopants in the graphite
and graphene surfaces have on the structure and dynamics of liquid water.
