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Please use this identifier to cite or link to this item: http://apo.ansto.gov.au/dspace/handle/10238/2996

Title: Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study.
Authors: Peterson, VK
Kearley, GJ
Wu, Y
Ramirez-Cuesta, AJ
Kemner, E
Kepert, CJ
Keywords: Thermal Expansion
Scattering
Vibrational States
Deformation
Electron Density
Energy
Issue Date: 12-Jan-2010
Publisher: Wiley-VCH Verlag Berlin
Citation: Peterson, V. K., Kearley, G. J., Wu, Y., Ramirez-Cuesta, A. J., Kemner, E., & Kepert, C. J. (2010). Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study. Angewandte Chemie-International Edition, 49(3), 585-588.
Abstract: Ask the locals: dynamic deformation of the dicopper tetracarboxylate paddlewheel unit within a metal-organic framework from square-prismatic to distorted occurs at very low energies. This deformation, which contributes strongly to the negative thermal expansion of this system, is a local vibration induced by a redistribution of electron density at the CuO junctions. © 2010, Wiley-VCH Verlag Berlin
URI: http://dx.doi.org/10.1002/anie.200903366
http://apo.ansto.gov.au/dspace/handle/10238/2996
ISSN: 1433-7851
Appears in Collections:Journal Articles

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