UCL logo

UCL Discovery

UCL home » Library Services » Electronic resources » UCL Discovery

Construction of nano- and microporous frameworks from octahedral bubble clusters

Woodley, SM; Watkins, MB; Sokol, AA; Shevlin, SA; Catlow, CRA; (2009) Construction of nano- and microporous frameworks from octahedral bubble clusters. PHYS CHEM CHEM PHYS , 11 (17) 3176 - 3185. 10.1039/b902600b.

Full text not available from this repository.

Abstract

We report a general method of constructing microporous, cubic frameworks from eight different high symmetry small clusters of ZnO, which were previously predicted via the application of an evolutionary algorithm. Using interatomic potentials, the lattice energies of the structures formed are computed. We analyse the relative stabilities within particular subsets of these periodic structures, and show that frameworks constructed from edge-sharing units of clusters with the T-h point group are predicted to be much more stable than those with T-d. Our results have general implications for the nanostructures of systems whose bulk structures are based on tetrahedral coordination.

Type:Article
Title:Construction of nano- and microporous frameworks from octahedral bubble clusters
DOI:10.1039/b902600b
Keywords:PERIODIC TETRAHEDRAL FRAMEWORKS, ZINC-OXIDE, CRYSTALLINE NETWORKS, ORGANIC FRAMEWORK, ENUMERATION, STABILITY, ALUMINOPHOSPHATE, PREDICTION, ALGORITHM, FULLERENE
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

Archive Staff Only: edit this record