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Ultralow-density nanocage-based metal-oxide polymorphs
Carrasco Rodríguez, Javier; Illas i Riera, Francesc; Bromley, Stefan T.
Universitat de Barcelona
For two important metal oxides (MO, M=Mg, Zn) we predict, via accurate electronic structure calculations, that new low-density nanoporous crystalline phases may be accessible via the coalescence of nanocluster building blocks. Specifically, we consider the assembly of cagelike (MO)12 clusters exhibiting particularly high gas phase stability, leading to new polymorphs with energetic stabilities rivaling (and sometimes higher) than those of known MO polymorphs.
2010-07-06
Cristal·lografia
Òxids metàl·lics
Química física
Crystallography
Metallic oxides
Physical chemistry and chemical physics
(c) American Physical Society, 2007
Article
American Physical Society
         

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