Selective Hydroxylation of In2O3 as A Route to Site-Selective Atomic Layer Deposition

Shan, Nannan; Jones, Jessica Catharine; Luo, Chunxin; Hock, Adam S.; Martinson, Alex B. F.; Cheng, Lei

doi:10.1021/acs.jpcc.2c01311

Title: Selective Hydroxylation of In₂O₃ as A Route to Site-Selective Atomic Layer Deposition

Journal Article · 13 June 2022 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.2c01311 · OSTI ID:1903737

^[1]; Jones, Jessica Catharine ^[1]; Luo, Chunxin ^[2];

^[3];

^[1];

^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)
Illinois Institute of Technology, Chicago, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Illinois Institute of Technology, Chicago, IL (United States)

We report that several atomic layer deposition (ALD) processes are now known that leverage the distinct surface chemistry of two disparate substrates (e.g., metal vs oxide) to realize markedly different ALD nucleation rates in an approach referred to as area-selective ALD. In contrast, few ALD processes have been identified that allow selective reaction at distinct surface sites of a single material surface, in a process that might be called site-selective ALD (SS-ALD). We describe one potential strategy to discriminate among several distinct surface sites on bixbyite In₂O₃ to achieve site selectivity. Using density functional theory, we predict the discriminant hydration and hydroxylation of In₂O₃ terrace and step-edge sites that depend strongly on the substrate temperature at low water coverage. Infrared measurement of surface hydroxyls on In₂O₃ nanoparticles supports the predicted temperature dependence. The in situ examination of MgO ALD nucleation also shows results consistent with the predicted temperature dependence of In₂O₃ hydroxylation. Together, these findings suggest that a selective hydroxylation approach may be a viable route to SS-ALD on In₂O₃.

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Research Organization:: Argonne National Laboratory (ANL), Lemont, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357

OSTI ID:: 1903737

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 25 Vol. 126; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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