Implications of surface chemistry variations on metal nanoparticles (i.e., packing density, tilt angle, and composition) influence not only the optical and electrical properties of these materials but also their behavior in complex environments. Herein, the combination of theoretical predictions with straightforward experimental measurements supports and describes the observed electrical and optical properties of gold nanomaterials using interaction pair potential modeling. Specifically, a semi-empirical solution to extended DLVO theory is derived using synergistic contributions from a size-dependent Hamaker constant for gold, interfacial surface potentials, and tilt angles of self-assembled monolayers account for van der Waals, electrostatic, and steric interactions between carboxylic acid functionalized gold nanoparticles in solution. Such molecular level insight into surface chemistry directed nanostructure-property relationships are envisioned to improve the systematic use of solution-phase nanomaterials by providing a method for predicting the thermodynamic stability of nanomaterials in various environmental conditions.

Towards the prediction of solution-phase gold nanoparticle stability

248th National Meeting (2014)

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