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Simulated Assembly Of Nanostructured Organic/Inorganic Networks, Monica H. Lamm, Ting Chen, Sharon C. Glotzer
Simulated Assembly Of Nanostructured Organic/Inorganic Networks, Monica H. Lamm, Ting Chen, Sharon C. Glotzer
Monica H. Lamm
We perform-lattice Monte Carlo simulations to study nanostructured networks formed by linking organically functionalized inorganic nanoscale building blocks. We develop a minimal lattice model of an octafunctional nanoscale building block (NBB) by representing the inorganic core with a rigid cube and the organic linkers with "bead-spring" chains. Using this model, we explore the effect of linker length on network properties including porosity, spatial distribution of NBBs, and extent of cross-linking during assembly. We compare our results with recent experimental data on networks of octafunctional polyhedral oligomeric silsesquioxane (POSS) cubes.