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Download fileTiO2 Facets Shaped by Concentration-Dependent Surface Diffusion of Dopamine
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posted on 2019-02-12, 00:00 authored by Li Yan, Haoze Chen, Chuanyong JingFacet
engineering highlights the fundamental understanding of kinetic
growth of facets with capping agents. Here, we provide a roadmap for
modulating TiO2 facets using dopamine as a capping agent
inspired by density functional theory calculations and molecular dynamics
simulations. Our calculations revealed that the surface diffusion
of dopamine and their facet-specific affinity direct the kinetic growth
of TiO2{100} and {101} facets into a nonequilibrium crystal
shape. Our TiO2 synthesis agreed well with the theoretical
predictions, suggesting that the concentration-dependent diffusion
is central in accurately tuning a desirable ratio of mixed facets.
Our findings shed new light on the diffusion-limited kinetically controlled
facet growth mechanism, and this fine-tuning of mixed facets on a
single crystal provides a general approach to design and fabricate
facets on metal oxides.
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surface diffusiontheory calculationsnonequilibrium crystal shapeTiO 2 Facetsfacet-specific affinityfacet growth mechanismconcentration-dependent diffusiondiffusion-limited kineticallyDopamine Facet engineeringmetal oxidesmodulating TiO 2 facetsdynamics simulationsConcentration-Dependent Surface DiffusionTiO 2 synthesis