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O: Fachverband Oberflächenphysik

O 16: Nanoscale Heterogeneous Catalysis

O 16.7: Vortrag

Montag, 16. März 2020, 16:45–17:00, TRE Ma

Shape-controlling effects of hydrohalic and carboxylic acids in TiO₂ nanoparticle synthesis — Kai Sellschopp¹, Wolfgang Heckel¹, Johannes Gäding¹, Clemens Schröter², Andreas Hensel², Tobias Vossmeyer², Horst Weller², Stefan Müller¹, and •Gregor Vonbun-Feldbauer¹ — ¹Institute of Advanced Ceramics, Hamburg University of Technology — ²Institute of Physical Chemistry, University of Hamburg

Shape-controlled synthesis of nanoparticles (NP), here titania (TiO₂), is paramount for various fields from catalysis to materials design. In thermodynamic equilibrium, the NP shape is governed by the stability of competing surface facets which also determine characteristics of NPs such as the reactivity or the mechanical properties of assembled NPs. Combing density functional theory (DFT) calculations with experimental techniques such as TEM, we studied the influence of various adsorbates on the NP shape during synthesis. This effort allowed the identification of mechanisms stabilizing different facets and the detailed characterization of the NPs which shows the agreement between computational and experimental work. Investigating the effects of variations in the physical conditions and chemical environments, e.g. via changes in the chemical potentials, highlights potentials for new synthesis routes and NP shapes.