Influence of substrate morphology on the growth of gold nanoparticles

We have simulated the vacuum deposition and subsequent growth of gold nanoparticles on various substrates in order to explore the effects that substrate morphology has on the resultant morphology of gold nanoparticles. The substrates and conditions explored included, the three low index faces, namely, (111), (100), and (110) for both fcc and bcc crystalline substrate structures, including various substrate lattice constants and temperatures. Firstly, we cataloged the major nanoparticle morphologies produced overall. While some substrates were found to produce a mixture of the main nanoparticle morphologies we were successful in identifying certain substrates and temperature conditions for which only I(h), D(h), or certain fcc crystalline nanoparticles can be grown almost exclusively. The substrate characteristics, temperature conditions, and governing growth dynamics are analyzed. We shed light on the balance between substrate influences and vacuum growth tendencies. From observations we can speculate that a substrate alters both the free energy stability of gold nanoparticles and/or the free energy barriers to transformation between certain morphologies. As such we find that substrates are an effective tool in templating the selective growth of desired nanoparticles or surface nanostructures.