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.

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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

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article

Biopolymer-Templated Titania Film Formation for Nanostructured Coatings Revealed by Machine Learning-Supported Time-Resolved Analysis

Matthias Schwartzkopf, Tanny Chávez, Julian E. Heger, Peter Müller‐Buschbaum et al.
ACS Applied Nano Materials
Machine Learning in Materials Science
article

Biopolymer-Templated Titania Film Formation for Nanostructured Coatings Revealed by Machine Learning-Supported Time-Resolved Analysis

Matthias Schwartzkopf, Tanny Chávez, Julian E. Heger, Peter Müller‐Buschbaum, Alexander Hexemer, Stephan Volkher Roth, Nian Li, Yufeng Zhai, Shachar Dan, Ilie Cernev, Calvin J. Gavillet
article en

Abstract

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.

ACS Applied Nano Materials
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)
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
Openalex Percentile: Top 15%
Machine Learning in Materials Science
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