Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/13269
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 Crystallography 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 http://dx.doi.org/10.1103/PhysRevLett.99.235502 |
It is part of: | Physical Review Letters, 2007, vol. 99, núm. 23, p. 235502-1-235502-4 |
URI: | http://hdl.handle.net/2445/13269 |
Related resource: | http://dx.doi.org/10.1103/PhysRevLett.99.235502 |
ISSN: | 0031-9007 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
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File | Description | Size | Format | |
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555269.pdf | 550 kB | Adobe PDF | View/Open |
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