Atomistic simulation is used to explore systematically the nanostructure landscape and start to populate a roadmap of nanostructures. In particular, taking our cue from crystallography, we position arrays of nanoparticles, rather than atoms, at crystallographic lattice sites. We consider cubic, tetragonal and hexagonal symmetries including binary nanoparticle superlattices [Nature 439, 55, 2006]. The resulting nanomaterials, spanning CeO2, ZnO, ZnS, MgO, CaO, SrO and BaO, comprise framework architectures, with cavities interconnected by channels traversing one, two and threedimensions.
Revised: November 18, 2013 |
Published: July 24, 2008
Citation
Sayle D.C., S. Seal, Z. Wang, B.C. Mangili, D.W. Price, A.S. Karakoti, and S.N. Kuchibhatla, et al. 2008.Mapping Nanostructure: A Systematic Enumeration of Nanomaterials by Assembling Nanobuilding Blocks at Cystallographic Positions.ACS Nano 2, no. 6:1237-1251.PNNL-SA-57715.doi:10.1021/nn800065g