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Exploring monovalent copper compounds with oxygen and hydrogen
Royal Institute of Technology.
Royal Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
Swedish Nuclear Fuel and Waste Management Co.
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2012 (English)In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 109, no 3, 686-689 p.Article in journal (Refereed) Published
Abstract [en]

New important applications of copper metal, e.g., in the areas of hydrogen production, fuel cell operation, and spent nuclear fuel disposal, require accurate knowledge of the physical and chemical properties of stable and metastable copper compounds. Among the copper(I) compounds with oxygen and hydrogen, cuprous oxide Cu(2)O is the only one stable and the best studied. Other such compounds are less known (CuH) or totally unknown (CuOH) due to their instability relative to the oxide. Here we combine quantum-mechanical calculations with experimental studies to search for possible compounds of monovalent copper. Cuprous hydride (CuH) and cuprous hydroxide (CuOH) are proved to exist in solid form. We establish the chemical and physical properties of these compounds, thereby filling the existing gaps in our understanding of hydrogen- and oxygen-related phenomena in Cu metal.

Place, publisher, year, edition, pages
National Academy of Sciences , 2012. Vol. 109, no 3, 686-689 p.
Keyword [en]
electronic structure, lattice dynamics, thermodynamic properties, metastability, infrared spectra
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-74637DOI: 10.1073/pnas.1115834109ISI: 000299154000015OAI: diva2:489456
Funding Agencies|SKB, the Swedish Nuclear Fuel and Waste Management Company||Available from: 2012-02-03 Created: 2012-02-03 Last updated: 2012-02-03

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Isaev, Eyvas
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Theoretical PhysicsThe Institute of Technology
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