A low energy pathway to CuCl₂: a theoretical investigation

Title: A low energy pathway to CuCl₂: a theoretical investigation
Creator: Suleiman, Ibrahim A.; Stockenhuber, Michael; Kennedy, Eric M.
Relation: Chemical Physics Letters Vol. 672, Issue March 2017, p. 54-56
Publisher Link: http://dx.doi.org/10.1016/j.cplett.2017.01.051
Publisher: Elsevier
Resource Type: journal article
Date: 2017
Description: Chlorine and HCl are adsorbed dissociatively on the Cu(1 0 0) surface. The exposure of Cl to copper surfaces lead to the formation of CuCl, which develops later to CuCl₂. In this paper, we show, using density functional theory calculations, that the presence of adsorbed water on a ClCu(1 0 0) modified surface leads to a low energy pathway to a direct CuCl₂ formation.
Subject: CuCl₂; low energy pathway; Chlorine; water
Identifier: http://hdl.handle.net/1959.13/1355595
Identifier: uon:31490
Identifier: ISSN:0009-2614
Language: eng
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