Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?
Karen Schaefer,
Chih-Yin Liu,
Andreas Meyer
et al.
Abstract:Cross-linked gold
nanoparticle (GNP) assemblies are valuable
for
a variety of applications, such as transducers for strain or gas sensors.
To pave the way for understanding their sensing behavior on an atomistic
scale, we ask whether their properties can be modeled by a single,
flat, particle–particle interface. Employing reactive force
field (ReaxFF) molecular dynamics simulations and a tight-binding
density functional theory approach to coherent tunneling, we find
that for alkane dithiolates, where most mole… Show more
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