Mechanism for zirconium oxide atomic layer deposition using bis(methylcyclopentadienyl)methoxymethyl zirconium

J. W. Elam, M. J. Pellin, S. D. Elliott, A. Zydor, M. C. Faia, Joseph T Hupp

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

The mechanism for zirconium oxide atomic layer deposition using bis(methylcyclopentadienyl)methoxymethyl zirconium and H2 O was examined using ab initio calculations of hydrolysis energies to predict the order of ligand loss. These predictions were tested using in situ mass spectrometric measurements which revealed that the methyl ligand, and 65% of the methylcyclopentadienyl ligands are lost during the zirconium precursor adsorption. The remaining 35% of the methylcyclopentadienyl ligands and the methoxy ligand are lost during the subsequent H2 O exposure. These measurements agree very well with the predictions, demonstrating that thermodynamic calculations are a simple and accurate predictor for the reactivities of these compounds.

Original languageEnglish
Article number253123
JournalApplied Physics Letters
Volume91
Issue number25
DOIs
Publication statusPublished - 2007

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atomic layer epitaxy
zirconium oxides
ligands
predictions
hydrolysis
reactivity
thermodynamics
adsorption
energy

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Mechanism for zirconium oxide atomic layer deposition using bis(methylcyclopentadienyl)methoxymethyl zirconium. / Elam, J. W.; Pellin, M. J.; Elliott, S. D.; Zydor, A.; Faia, M. C.; Hupp, Joseph T.

In: Applied Physics Letters, Vol. 91, No. 25, 253123, 2007.

Research output: Contribution to journalArticle

Elam, J. W. ; Pellin, M. J. ; Elliott, S. D. ; Zydor, A. ; Faia, M. C. ; Hupp, Joseph T. / Mechanism for zirconium oxide atomic layer deposition using bis(methylcyclopentadienyl)methoxymethyl zirconium. In: Applied Physics Letters. 2007 ; Vol. 91, No. 25.
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