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Exploring monovalent copper compounds with oxygen and hydrogen
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.ORCID iD: 0000-0002-9920-5393
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
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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
2012. Vol. 109, no 3, 686-689 p.
Keyword [en]
electronic structure, lattice dynamics, thermodynamic properties, metastability, infrared spectra
National Category
Physical Chemistry Condensed Matter Physics Corrosion Engineering
URN: urn:nbn:se:kth:diva-75520DOI: 10.1073/pnas.1115834109ISI: 000299154000015ScopusID: 2-s2.0-84856365324OAI: diva2:491066
QC 20120206Available from: 2012-02-06 Created: 2012-02-06 Last updated: 2012-05-04Bibliographically approved

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Korzhavyi, Pavel A.Soroka, Inna L.Johansson, Börje
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Proceedings of the National Academy of Sciences of the United States of America
Physical ChemistryCondensed Matter PhysicsCorrosion Engineering

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