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Updated: May 31, 2026
08:44
Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate
Published on: February 23, 2016
Anisotropic Amorphization of Black Titania
Yikun Kang1, Zhi-Pan Liu1,2, Ye-Fei Li1
1State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200433, China.
Journal of the American Chemical Society
|May 28, 2026
Summary
Black titania
Area of Science:
- Materials Science
- Surface Chemistry
- Nanotechnology
Background:
- Black titania's amorphous-shell/crystalline-core structure enhances visible-light absorption and catalysis.
- The physical principles of its surface amorphization are not well understood.
- Rippled contrast at the interface observed in TEM requires explanation.
Purpose of the Study:
- To elucidate the physical principles governing black titania amorphization.
- To understand the crystallographic anisotropy in surface amorphization.
- To explain the origin of anomalous Ti3+ signatures.
Main Methods:
- Machine-learning amorphous structural search.
- Long-time molecular dynamics simulations.
- Analysis of electron energy-loss spectroscopy (EELS) data.
Main Results:
- Discovered crystallographic anisotropy in amorphization, favoring rutile(100) facets.
- Identified collective Ti migration as the driving force for amorphization.
- Revealed interstitial Ti3+ trapping at the amorphous-crystalline interface.
- Established a critical oxygen vacancy concentration (>1 monolayer) for aluminum reduction-induced amorphization.
Conclusions:
- Anisotropic amorphization dictates black titania's properties.
- The study provides a predictive framework for oxide amorphization phase engineering.
- Offers insights into reduction-induced surface enrichment and strong metal-support interaction (SMSI).
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