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Issue 22, 2015
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Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

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Abstract

We propose and evaluate the use of metallocene compounds as reducing agents for the chemical vapour deposition (and specifically atomic layer deposition, ALD) of the transition metal Cu from metalorganic precursors. Ten different transition metal cyclopentadienyl compounds are screened for their utility in the reduction of Cu from five different Cu precursors by evaluating model reaction energies with density functional theory (DFT) and solution phase chemistry.

Graphical abstract: Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

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Publication details

The article was received on 06 Mar 2015, accepted on 15 Apr 2015 and first published on 17 Apr 2015


Article type: Paper
DOI: 10.1039/C5DT00922G
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Dalton Trans., 2015,44, 10188-10199

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    Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

    G. Dey, J. S. Wrench, D. J. Hagen, L. Keeney and S. D. Elliott, Dalton Trans., 2015, 44, 10188
    DOI: 10.1039/C5DT00922G

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