Resolving the Heat Generated from ZrO2 Atomic Layer Deposition Surface Reactions

Ashley R. Bielinski, Ethan P. Kamphaus, Lei Cheng, Alex B.F. Martinson

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

In situ pyroelectric calorimetry and spectroscopic ellipsometry were used to investigate surface reactions in atomic layer deposition (ALD) of zirconium oxide (ZrO2). Calibrated and time-resolved in situ ALD calorimetry provides new insights into the thermodynamics and kinetics of saturating surface reactions for tetrakis(dimethylamino)zirconium(IV) (TDMAZr) and water. The net ALD reaction heat ranged from 0.197 mJ cm−2 at 76 °C to 0.155 mJ cm−2 at 158 °C, corresponding to an average of 4.0 eV/Zr at all temperatures. A temperature dependence for reaction kinetics was not resolved over the range investigated. The temperature dependence of net reaction heat and distribution among metalorganic and oxygen source exposure is attributed to factors including growth rate, equilibrium surface hydroxylation, and the extent of the reaction. ZrO2-forming surface reactions were investigated computationally using DFT methods to better understand the influence of surface hydration on reaction thermodynamics.

Original languageEnglish
Article numbere202301843
JournalAngewandte Chemie - International Edition
Volume62
Issue number30
DOIs
StatePublished - Jul 24 2023
Externally publishedYes

Keywords

  • Atomic Layer Deposition
  • Calorimetry
  • Surface Chemistry

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