Argonne National Laboratory

Research Highlight | Materials Science

Resolving a multi-step atomic layer deposition surface reaction
In a study published in Angewandte Chemie International Edition, researchers uncover the multi-step surface reactions in the atomic layer deposition of ZrO2.
Heat generation rate for the Zr precursor surface reaction. Four peaks fit two reaction events (A and B) on each of two sides of the sensor.

Scientific Achievement

We utilized time-resolved microcalorimetry to reveal that the atomic layer deposition (ALD) of ZrO2 proceeds through at least two distinct surface reactions separated in time. A new mechanism is required to explain the observed reaction heat from sequential surface reactions that also depend on growth temperature.

Significance and Impact

A deeper understanding of surface reactions is required to better design and fabricate the interfaces on which microelectronics, catalysis, and energy conversion depend. In situ ALD calorimetry provides the most detailed thermodynamic and kinetic insights to date.

Research Details

  • Calibrated microcalorimetry quantified the reaction heat of ZrO2 ALD, which matches the standard heat of formation
  • ZrO2-forming surface reactions were investigated computa- tionally and found to incompletely describe reaction heat

DOI: 10.1002/anie.202301843

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