Structure , Dynamics , and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies

  title={Structure , Dynamics , and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies},
  author={Walker Luedtke and Uzi Landman}
The structure, dynamics, and thermodynamics of gold nanocrystallites passivated by alkylthiolate monolayers were investigated, using molecular dynamics simulations, in different environments sas i olated gas-phase clusters, when adsorbed on a graphite surface, and when assembled into three-dimensional superlattices. The packing arrangements and densities of the monolayers passivating the facets of the core gold nanocrystallites differ from those found on extended gold surfaces, exhibiting… CONTINUE READING
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