Self-assembled ligand monolayers can protect the surfaces of metal nanoparticles and enhance their function for a variety of applications. Monolayers composed of two or more ligand types can form patterns as a result of partial or complete ligand-ligand phase separation. Understanding the formation of these patterns is essential. However, it is not straightforward to predict ligand pattern formation, and even the experimental characterization of these patterns has proven difficult. In this work, we combine atomistic scale simulations with an advanced Monte Carlo sampling algorithm to interpret and then predict experimental results from matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) that report on the self-organization of ligand mixtures on ultrasmall noble metal nanoparticles.<br/>

Self-assembly within the ligand monolayer: Simulating the influence of chemical and length mismatch among surface ligands on ultrasmall nanoparticles

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.