Anatase TiO2 Surface Hydration: Infrared Vibrational Assignment and Facet-Specific Stability

Luo, Chunxin; Hood, Zachary D.; Martinson, Alex B. F.; Hock, Adam S.

doi:10.1021/acs.jpcc.4c05330

Anatase TiO₂ Surface Hydration: Infrared Vibrational Assignment and Facet-Specific Stability

Journal Article · Wed Sep 25 00:00:00 EDT 2024 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.4c05330· OSTI ID:2568021

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

Anatase TiO₂ nanoparticles support a subtle diversity of surface aqua and hydroxy coordination environments that are characteristic of distinct facets and defect sites. The disparate properties and stability of each molecularly or dissociatively absorbed water environment may provide unique reactivity for facet- and site-selective atomic layer deposition (ALD). Here we probe the temperature-dependent and facet-specific stretching frequency and stability of surface hydroxyls on faceted anatase TiO₂ nanoparticles via in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Well-defined truncated octahedra, disks, and rods fabricated through hydrothermal synthesis present dominant (101), (001), and (010) facets, respectively. The selective dehydration of discrete local coordination environments as a function of temperature provides a potential pathway to site-selective and facet-selective ALD on metal oxide nanomaterials.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Center for Nanoscale Materials (CNM)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2568021

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 40 Vol. 128; ISSN 1932-7455; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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