title: Ultralow-density nanocage-based metal-oxide polymorphs.
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.
authors.affiliation: Dept. Química Física & IQTCUB, Universitat de Barcelona, 08028 Barcelona, Spain.
authors.forename: Javier
authors.initials: J
authors.lastname: Carrasco
authors.forename: Francesc
authors.initials: F
authors.lastname: Illas
authors.forename: Stefan T
authors.initials: ST
authors.lastname: Bromley