Ultralow-density nanocage-based metal-oxide polymorphs

被引：120

作者：

Carrasco, Javier

Illas, Francesc

Bromley, Stefan T. ^{[1
]}

机构：

[1] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain

[2] ICREA, Barcelona 08010, Spain

[3] Univ Barcelona, IQTCUB, E-08028 Barcelona, Spain

来源：

PHYSICAL REVIEW LETTERS | 2007年 / 99卷 / 23期

关键词：

D O I：

10.1103/PhysRevLett.99.235502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页数：4

共 30 条

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