Achievement

Paul Mark (Rutgers, Materials Science and Engineering) has recently published work on a numerical model and simulations of nanoparticle interactions and assemblies combining several known molecular dynamics methods with force fields applicable to interactions on the nanoscale. This numerical tool is used to predict the formation of structures of nanoparticles, gold dimers in particular, used in photovoltaic applications, promising to increase device efficiency. Gains in performance for devices that use nanoparticle assemblies can be predicted by tailoring the assemblies to take advantage of the benefits of nanoparticles while avoiding some of the pitfalls. This computational work, published in the Journal of Colloid and Interfacial Chemistry (doi:10.1021/jp207411b), was achieved in consultation with Prof. Annabella Selloni (Princeton, Chemistry) who acts as Paul’s interdisciplinary IGERT co-advisor.