Project

Simulating catalytic nanoparticles with realistic support

Publisher

Supervisor

Location

Greater Copenhagen area

Metallic nanoparticles are the key component of many catalytic systems, including important examples such as the catalytic converter on cars, which keeps the air in the cities (moderately) clean; the fuel cells converting hydrogen to electricity; energy conversion of e.g. electricity and CO2 to fuel, or the industrial production of key chemicals.

However, the nanoparticles are never the only component of the system, the supporting material, which is often an oxide, are known to play a crucial role as well. In the figure, we show an artist impression of such a system and how it looks when imaged under a powerful electron microscope.

In this project, you will be simulating Platinum on Titanium dioxide. The aim is to determine how the support influences the structure of the nanoparticles. While smaller particles are expected to adapt to the support, larger particles are expected to form misfit dislocations in the interface. 

Such an effect is illustrated in the figure. Where we show the bottom the layer of differently sized supported nanoparticles with a color-coding according to strain, revealing a pattern of misfit dislocations. This strain can impact both catalytic properties and long-term stability of the system.

The project will be part of a research collaboration between the section for Computational Atomic-scale Materials Design (CAMD) at DTU Physics and DTU’s Center for Electron Nanoscopy (DTU CEN).
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Contact

Company / Organization

DTU Fysik

Name

Jakob Schiøtz

Position

Professor

Mail

schiotz@fysik.dtu.dk

Supervisor info

BSc in Physics and Nanotechnology

Supervisor

Jakob Schiøtz

ECTS credits

15 - 35

Type

BSc project, MSc thesis

Must be completed

10303 Condensed Matter Physics

MSc in Physics and Nanotechnology

Supervisor

Jakob Schiøtz

ECTS credits

15 - 35

Type

BSc project, MSc thesis

Must be completed

10303 Condensed Matter Physics

MSc in Sustainable Energy

Supervisor

Jakob Schiøtz

ECTS credits

15 - 35

Type

BSc project, MSc thesis

Must be completed

10303 Condensed Matter Physics

Technical University of Denmark

For almost two centuries DTU, Technical University of Denmark, has been dedicated to fulfilling the vision of H.C. Ørsted – the father of electromagnetism – who founded the university in 1829 to develop and create value using the natural sciences and the technical sciences to benefit society.


Today, DTU is ranked as one of the foremost technical universities in Europe, continues to set new records in the number of publications, and persistently increases and develops our partnerships with industry, and assignments accomplished by DTU’s public sector consultancy.

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