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Shape-controlling effects of hydrohalic and carboxylic acids in TiO2 nanoparticle synthesis
Citation Link: https://doi.org/10.15480/882.2657
Publikationstyp
Journal Article
Date Issued
2020-02-10
Sprache
English
Author(s)
TORE-DOI
TORE-URI
Journal
Volume
152
Issue
6
Article Number
064702
Citation
The Journal of Chemical Physics 6 (152): 064702 (2020)
Publisher DOI
Scopus ID
The ability to synthesize nanoparticles (NPs), here TiO2, of different shapes in a controlled and reproducible way is of high significance for a wide range of fields including catalysis and materials design. Different NP shapes exhibit variations of emerging facets, and processes such as adsorption, diffusion, and catalytic activity are, in general, facet sensitive. Therefore, NP properties, e.g., the reactivity of NPs or the stability of assembled NPs, depend on their shape. We combine computational modeling based on density functional theory with experimental techniques such as transmission electron microscopy, energy-dispersive x-ray spectroscopy, and x-ray powder diffraction to investigate the ability of various adsorbates, including hydrohalic and carboxylic acids, to influence NP shape. This approach allows us to identify mechanisms stabilizing specific surface facets and thus to predict NP shapes using computational model systems and to experimentally characterize the synthesized NPs in detail. Shape-controlled anatase TiO2 NPs are synthesized here in agreement with the calculations in platelet and bi-pyramidal shapes by employing different precursors. The importance of the physical conditions and chemical environment during synthesis, e.g., via competitive adsorption or changes in the chemical potentials, is studied via ab initio thermodynamics, which allows us to set previous and new results in a broader context and to highlight potentials for additional synthesis routes and NP shapes.
DDC Class
530: Physik
620: Ingenieurwissenschaften
More Funding Information
Deutsche Forschungsgemeinschaft (DFG)
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