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

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 uti...

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Published inDalton transactions : an international journal of inorganic chemistry Vol. 44; no. 22; pp. 10188 - 10199
Main Authors Dey, Gangotri, Wrench, Jacqueline S, Hagen, Dirk J, Keeney, Lynette, Elliott, Simon D
Format Journal Article
LanguageEnglish
Published England 14.06.2015
Subjects
Copper
DEPOSITION
MATHEMATICAL ANALYSIS
Mathematical models
Metallocenes
MICA
PHASES
Precursors
Quantum chemistry
Reducing agents
Transition metals
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Summary: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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ISSN:1477-9226
1477-9234
DOI:10.1039/c5dt00922g