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|Title: ||Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study.|
|Authors: ||Peterson, VK|
|Keywords: ||Thermal Expansion|
|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|
|Appears in Collections:||Journal Articles|
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