Construction of nano- and microporous frameworks from octahedral bubble clusters

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 compute...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2009-01, Vol.11 (17), p.3176-3185
Hauptverfasser:	Woodley, S M, Watkins, M B, Sokol, A A, Shevlin, S A, Catlow, C R A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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