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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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Article information


Submitted
06 Mar 2015
Accepted
15 Apr 2015
First published
17 Apr 2015

Dalton Trans., 2015,44, 10188-10199
Article type
Paper
Author version available

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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