Biopolymer-Templated Titania Film Formation for Nanostructured Coatings Revealed by Machine Learning-Supported Time-Resolved Analysis
High Resolution Image Download MS PowerPoint Slide This study presents a machine learning approach to derive the film formation of biopolymer-templated titania nanostructures during spray deposition, in combination with in situ grazing-incidence small-angle X-ray scattering (GISAXS). A neural network trained on synthetic GISAXS data directly predicts domain-size distributions from experimental two-dimensional scattering patterns, capturing the full kinetics of nanostructure evolution with high temporal resolution. The predictions reveal hierarchical size distributions and periodic growth features, consistent with layer-by-layer spray deposition and validated by complementary scanning electron microscopy (SEM) imaging. Quantitative comparison with conventional parametric GISAXS fits shows good qualitative agreement, with systematic differences explained by domain-shape assumptions and resolved by applying a geometric scaling factor. Simulated SEM-like surfaces derived from neural network outputs reproduce the porous, foam-like nanoscale morphology observed experimentally, reinforcing the method’s credibility. This integrated approach enables real-time, nondestructive, statistically averaged monitoring of bulk nanostructure development in functional coatings, offering a scalable methodology to accelerate the characterization and process control of sustainably manufactured nanostructured titania films for energy-related applications such as photocatalysis and photovoltaics.
Authors
- Matthias Schwartzkopf (ORCID: https://orcid.org/0000-0002-2115-9286)
- Tanny Chávez (ORCID: https://orcid.org/0000-0001-9317-2896)
- Julian E. Heger (ORCID: https://orcid.org/0000-0001-7719-0111)
- Peter Müller‐Buschbaum (ORCID: https://orcid.org/0000-0002-9566-6088)
- Alexander Hexemer (ORCID: https://orcid.org/0000-0002-5269-0125)
- Stephan Volkher Roth (ORCID: https://orcid.org/0000-0002-6940-6012)
- Nian Li (ORCID: https://orcid.org/0000-0003-4051-5976)
- Yufeng Zhai
- Shachar Dan
- Ilie Cernev
- Calvin J. Gavillet
Institutions
- Lawrence Berkeley National Laboratory (US)
- University of Electronic Science and Technology of China (CN)
- Deutsches Elektronen-Synchrotron DESY (DE)
- Primary Source (US)
- Advanced Light Source
- Technical University of Munich (DE)
- KTH Royal Institute of Technology (SE)
Publication Details
- Journal
- ACS Applied Nano Materials
- Published
- 2026-06-26
- DOI
- https://doi.org/10.1021/acsanm.6c01622
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- U.S. Department of Energy
- Solar Technologies go Hybrid
- National Natural Science Foundation of China
- Bundesministerium für Forschung und Technologie
- Natural Science Foundation of Sichuan Province
- Bayerisches Staatsministerium für Wissenschaft und Kunst
- Office of Science
- Deutsches Elektronen-Synchrotron
- Center for NanoScience, Ludwig-Maximilians-Universität München
- Fundamental Research Funds for the Central Universities