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Title: Ultralow-density nanocage-based metal-oxide polymorphs
Author: Carrasco Rodríguez, Javier
Illas i Riera, Francesc
Bromley, Stefan Thomas
Keywords: Cristal·lografia
Òxids metàl·lics
Química física
Metallic oxides
Physical chemistry and chemical physics
Issue Date: 2007
Publisher: American Physical Society
Abstract: 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.
Note: Reproducció digital del document proporcionada per PROLA i
It is part of: Physical Review Letters, 2007, vol. 99, núm. 23, p. 235502-1-235502-4
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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