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Bayesian Machine Learning for Efficient Minimization of Defects in ALD Passivation Layers.

Gül Dogan1,2, Sinan O Demir2, Rico Gutzler3

  • 1Robert Bosch GmbH, Automotive Electronics, Postfach 13 42, 72703 Reutlingen, Germany.

ACS Applied Materials & Interfaces
|November 4, 2021
PubMed
Summary
This summary is machine-generated.

Machine learning, specifically Bayesian optimization, efficiently minimized defects in aluminum oxide (Al2O3) coatings for copper corrosion protection. Optimized atomic layer deposition parameters significantly enhanced corrosion resistance, demonstrating a powerful approach for materials science.

Keywords:
Bayesian optimizationatomic layer depositioncopperdefect densitywet etching

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Corrosion Engineering

Background:

  • Atomic Layer Deposition (ALD) provides high-quality conformal coatings crucial for material encapsulation.
  • Optimizing ALD parameters for defect-free layers is challenging due to high dimensionality.
  • Machine Learning (ML) offers efficient solutions for complex materials science problems.

Purpose of the Study:

  • To employ ML, specifically Bayesian Optimization (BO), for minimizing defects in ALD-Al2O3 passivation layers.
  • To enhance the corrosion protection of metallic copper using optimized ALD parameters.
  • To demonstrate the effectiveness of BO in accelerating materials optimization.

Main Methods:

  • Utilized Bayesian Optimization (BO) to systematically explore and identify optimal ALD deposition parameters.
  • Performed electrochemical tests to evaluate the corrosion resistance and film properties of ALD-Al2O3 layers.
  • Investigated the impact of surface pretreatment (Ar/H2 plasma), deposition temperature, and pulse time on layer quality and performance.

Main Results:

  • BO successfully minimized defect density in ALD-Al2O3 layers within three trials.
  • Optimized layers exhibited near-zero film porosity and a five-order-of-magnitude reduction in corrosion current.
  • Key parameters included Ar/H2 plasma pretreatment, deposition temperatures above 200 °C, and 60 ms pulse time, which quadrupled corrosion resistance.

Conclusions:

  • Bayesian Optimization is a highly effective tool for optimizing ALD processes and reducing defects in passivation layers.
  • The optimized ALD-Al2O3 coatings provide exceptional corrosion protection for metallic copper.
  • This ML-driven approach has broad applicability for materials development across various scientific domains.