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Dey G, Wrench JS, Hagen DJ, et al. Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper. Dalton Trans. 2015;44(22):10188-99doi: 10.1039/c5dt00922g.
Dey, G., Wrench, J. S., Hagen, D. J., Keeney, L., & Elliott, S. D. (2015). Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper. Dalton transactions (Cambridge, England : 2003), 44(22), 10188-99. https://doi.org/10.1039/c5dt00922g
Dey, Gangotri, et al. "Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper." Dalton transactions (Cambridge, England : 2003) vol. 44,22 (2015): 10188-99. doi: https://doi.org/10.1039/c5dt00922g
Dey G, Wrench JS, Hagen DJ, Keeney L, Elliott SD. Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper. Dalton Trans. 2015 Jun 14;44(22):10188-99. doi: 10.1039/c5dt00922g. PMID: 25914999.
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Dalton Trans. 2015 Jun 14;44(22):10188-99. doi: 10.1039/c5dt00922g.

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

Dalton transactions (Cambridge, England : 2003)

Gangotri Dey, Jacqueline S Wrench, Dirk J Hagen, Lynette Keeney, Simon D Elliott

Affiliations

  1. Tyndall National Institute, University College Cork, Lee Malting's, Dyke Parade, Cork, Ireland. [email protected].

PMID: 25914999 DOI: 10.1039/c5dt00922g

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.

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