  Understanding the size- and shape-dependent properties of platinum
nanoparticles is critical for enabling the design of nanoparticle-based
applications with optimal and potentially tunable functionality. Toward this
goal, we evaluated nine different empirical potentials with the purpose of
accurately modeling faceted platinum nanoparticles using molecular dynamics
simulation. First, the potentials were evaluated by computing bulk and surface
properties-surface energy, lattice constant, stiffness constants, and the
equation of state-and comparing these to prior experimental measurements and
quantum mechanics calculations. Then, the potentials were assessed in terms of
the stability of cubic and icosahedral nanoparticles with faces in the {100}
and {111} planes, respectively. Although none of the force fields predicts all
the evaluated properties with perfect accuracy, one potential -- the embedded
atom method formalism with a specific parameter set -- was identified as best
able to model platinum in both bulk and nanoparticle forms.
