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Chemisorption of ac...
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Crispin, XavierUniversity of Mons, Belgium
(author)
Chemisorption of acrylonitrile on the Cu(100) surface: A local density functional study
- Article/chapterEnglish1999
Publisher, publication year, extent ...
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American Institute of Physics (AIP),1999
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electronicrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:liu-81301
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-81301URI
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https://doi.org/10.1063/1.479604DOI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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The possibility of chemically grafting polyacrylonitrile onto transition metal electrodes via electropolymerization leads to promising applications in the fields of corrosion protection or metal surface functionalization. The initial step of the electrografting mechanism is the adsorption of the acrylonitrile monomer on the metal surface from solution. Here, we investigate theoretically this adsorption process on the copper (100) surface; Density Functional Theory is used in the Local Spin Density approximation to describe the electronic and structural properties of acrylonitrile adsorbed on copper clusters. The chemisorption of acrylonitrile on the copper surface is confirmed experimentally via X-Ray Photoelectron Spectroscopy. The thermodynamic characteristics of the adsorption process are also studied via statistical mechanics. Finally, determining the influence of the copper cluster size on the adsorption of acrylonitrile allows to extrapolate the properties of the acrylonitrile/Cu(100) surface from those of acrylonitrile/copper clusters. (C) 1999 American Institute of Physics. [S0021-9606(99)70231-X].
Subject headings and genre
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copper
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chemisorption
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density functional theory
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polymers
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polymerisation
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surface chemistry
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organic compounds
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electrochemistry
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TECHNOLOGY
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TEKNIKVETENSKAP
Added entries (persons, corporate bodies, meetings, titles ...)
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Bureau, C.CEA Saclay, France;
(author)
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Geskin, V. M.University of Mons, Belgium
(author)
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Lazzaroni, R.University of Mons, Belgium
(author)
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Salaneck, William R.Linköpings universitet,Ytors Fysik och Kemi,Tekniska högskolan(Swepub:liu)wilsa67
(author)
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Bredas, J. L.University of Mons, Belgium
(author)
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University of Mons, BelgiumCEA Saclay, France;
(creator_code:org_t)
Related titles
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In:Journal of Chemical Physics: American Institute of Physics (AIP)111:7, s. 3237-32510021-96061089-7690
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