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Cover Picture: Probing the Mechanical Properties of Hybrid Inorganic–Organic Frameworks: A Computational and Experimental Study (ChemPhysChem 11/2010)
Author(s) -
Kosa Monica,
Tan JinChong,
Merrill Crystal A.,
Krack Matthias,
Cheetham Anthony K.,
Parrinello Michele
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201090053
Subject(s) - nanoporous , nanoindentation , nanotechnology , materials science , metal organic framework , chemistry , composite material , adsorption
The broad field of hybrid framework materials has experienced enormous growth in the past decade, leading to an explosion of scientific papers related to nanoporous metal‐organic frameworks (MOFs). By virtue of their combined structural and chemical versatility, this new class of materials offers huge opportunities for creating exciting properties of great technological importance. Nevertheless, the exploration of elastic properties which is crucial for their successful utilization is still in its infancy. On p. 2332, M. Kosa, A. K. Cheetham et al. show how elastic anisotropy along the primary crystallographic orientations can be assessed using experimental and computational methods. They use single‐crystal nanoindentation experiments and first‐principles DFT calculations to reveal the mechanical behaviour of a novel hybrid framework material that is akin to ZnO. The computational scheme proposed herein avoids the calculation of the full elastic constants tensor which has proven to be problematic for ZnO. The authors gratefully acknowledge Yana Lelcheck for contribution of the front cover artwork.