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Mechanistic study on In2O3atomic layer deposition using InCp and H2O/O2.
Sumin An1, Sanghyuk Lee1, Il-Kwon Oh2
1Department of Materials Science and Engineering, Incheon National University, Incheon 22012, Republic of Korea.
Nanotechnology
|March 4, 2026
Summary
This study reveals how oxygen (O2) and water (H2O) work together to deposit indium oxide (In2O3) films using atomic layer deposition (ALD). Their combined action ensures complete oxidation for efficient film growth.
Area of Science:
- Materials Science
- Surface Chemistry
- Computational Chemistry
Background:
- Atomic Layer Deposition (ALD) is crucial for thin-film fabrication.
- Understanding the In2O3 ALD mechanism with InCp precursor is key for optimizing deposition.
Purpose of the Study:
- Investigate the ALD mechanism of In2O3 using InCp precursor.
- Clarify the roles of H2O and O2 coreactants in the deposition process.
- Provide insights for optimizing In2O3 ALD for electronic applications.
Main Methods:
- Density Functional Theory (DFT) calculations.
- Simulated experimentally relevant conditions.
- Analyzed adsorption, oxidation, and reaction pathways.
Main Results:
- InCp adsorption on SiO2 is favorable, saturating surface sites.
- O2 efficiently oxidizes Cp-free In sites, while H2O removes the Cp ligand.
- Combined O2 and H2O enable complete oxidation of both In species, matching experimental high growth-per-cycle (GPC).
Conclusions:
- The complementary reactivity of O2 and H2O dictates In2O3 ALD efficiency.
- Mechanistic understanding explains oxidant-dependent GPC trends.
- Findings guide optimization of In2O3 ALD for advanced applications.
