Thermodynamics of Stable and Metastable Cu-O-H Compounds

Abstract:

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We apply density functional perturbation theory together with experimental studies in order to investigate the structure and physical properties of possible stable and metastable copper(I) compounds with oxygen and hydrogen. Copper(I) hydride, CuH, is found to be a metastable phase which decomposes at ambient conditions and exhibiting a semiconducting gap in the electronic spectrum. The calculated structure and phonon spectra are found to be in good agreement with experimental data. The phonon spectra of a novel metastable phase, copper(I) hydroxide, are also determined.

Info:

Periodical:

Solid State Phenomena (Volumes 172-174)

Edited by:

Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson

Pages:

973-978

DOI:

10.4028/www.scientific.net/SSP.172-174.973

Citation:

P. A. Korzhavyi et al., "Thermodynamics of Stable and Metastable Cu-O-H Compounds", Solid State Phenomena, Vols. 172-174, pp. 973-978, 2011

Online since:

June 2011

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Price:

$35.00

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