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Atomic layer epitaxy of copper: an ab initio investigation of the CuCl/H-2 process - II. Reaction energies
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorgansik kemi.
1999 (English)In: APPLIED SURFACE SCIENCE, ISSN 0169-4332, Vol. 148, no 1-2, 9-16 p.Article in journal (Refereed) Published
Abstract [en]

Reaction energies for different reaction pathways in the CuCl/H-2 process occurring in the gas phase as well as on a Cu(111) surface have been calculated using Density Functional Theory. All reactions, occurring in the gas phase as well as in the solid/va

Place, publisher, year, edition, pages
1999. Vol. 148, no 1-2, 9-16 p.
Keyword [en]
density functional calculations; surface reactions; copper; copper(I) chloride; hydrogen; DISSOCIATIVE ADSORPTION; H-2; CU(111); DESORPTION; DYNAMICS; HYDROGEN; SURFACE; CU(100); MODEL
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-84634OAI: oai:DiVA.org:uu-84634DiVA: diva2:112542
Note
Addresses: Larsson K, Ångström Lab, Box 538, SE-75121 Uppsala, Sweden.Available from: 2006-10-19 Created: 2006-10-19 Last updated: 2011-01-14

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Larsson, KarinCarlsson, Jan-Otto

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