Development of Experiment and Theory to Detect and Predict Ligand Phase Separation on Silver Nanoparticles

Autor: Steven N. Merz, Zachary J. Farrell, Caroline Dunn, David Green, Sergei A. Egorov, Jon Seager
Rok vydání: 2015
Předmět:
Zdroj: Angewandte Chemie International Edition. 54:6479-6482
ISSN: 1433-7851
DOI: 10.1002/anie.201500906
Popis: MALDI mass-spectrometry measurements are combined with self-consistent mean-field (SCF) calculations to detect and predict ligand phase separation on Ag nanoparticles. The experimental and theoretical techniques complement each other by enabling quantification of the nearest-neighbor distribution of a ligand mixture in a monolayer shell. By tracking a characteristic metallic fragment family, analysis of a MALDI spectrum produces a frequency distribution corresponding to specific ligand patterning. Inherent to the SCF calculation is the enumeration of local interactions that dictate ligand assembly. Interweaving MALDI and SCF facilitates a comparison between the experimentally and theoretically derived frequency distributions as well as their deviation from a well-mixed state. Thus, we combine these techniques to detect and predict phase separation in monolayers that mix uniformly or experience varying degrees of de-mixing, including microphase separation and stripe formation. Definition of MALDI removed as this is a commonly recognized technique.
Databáze: OpenAIRE