Ligand Structure and Free Energy of Nanoparticles on Substrates
ORAL
Abstract
2D nanoparticle superlattices are commonly assembled on or transferred to solid substrate supports such as silicon wafers, silica, or graphene. In order to better understand nanoparticles in this context, molecular dynamics simulations were carried out to study the nanoparticle-substrate interactions. Simulations were run using HOODLT/HOOMD-blue to analyze the capping ligand vortices and adhesion free energies of substrate supported gold nanoparticles of various sizes grafted with hydrocarbons of various lengths. The relation of this work to nanoparticle superlattices is also discussed.
*This work is funded by NSF, DMR-CMMT 1606336 ''CDS\&E: Design Principles for Ordering Nanoparticles into Super-crystals". This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562. Our project within XSEDE is supported by grant TG-MCB140071.
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Presenters
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Matthew Pham
- Iowa State University