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From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks

A bottom up approach is employed in the design of novel materials: first, gas-phase “double bubble” clusters are constructed from high symmetry, Th, 24 and 96 atom, single bubbles of ZnO and GaN. These are used to construct bulk frameworks. Upon geometry optimization—minimisation of energies and f...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Matthew R. Farrow, John Buckeridge, C. Richard A. Catlow, Andrew J. Logsdail, David O. Scanlon, Alexey A. Sokol, Scott M. Woodley
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: MDPI AG 2014-05-01
Cyfres:Inorganics
Pynciau:
Mynediad Ar-lein:http://www.mdpi.com/2304-6740/2/2/248
Tagiau: Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!