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Microkinetic modelling of catalytic processes

In our projects, in this area we employ quantum chemistry, molecular dynamics, laboratory experiment and kinetic modelling to produce fundamental, validated mechanisms. We employ th more...

Supervisor(s): Montoya, Alejandro (Dr)

Catalytic micro-combustion

In this project, we study the microkinetics of methane/natural gas oxidation over catalysts using quantum chemistry, molecular dynamics, laboratory experiment and kinetic modelling. more...

Supervisor(s): Montoya, Alejandro (Dr)

Customising the acidity of novel nano-catalysts for desired catalytic reactions

To investigate through first principles calculations, the fundamental physics and chemistry of novel solid acid nano-catalysts with the overall goal of understanding and predicting more...

Supervisor(s): Stampfl, Catherine (Professor)

Watching One Molecule At A Time

Our group is heavily invested in understanding molecular parameters that underpin the excitonic behaviour at a nanoscale.  An exciton is a Coulombically bound electron-hole pai more...

Supervisor(s): Lakhwani, Girish (Dr)

Advanced organic electronics

This project aims to identify design rules for next-generation organic electronics, especially organic solar cells. It will use both computational simulations and experimental work more...

Supervisor(s): Kassal, Ivan (Dr)

Development of tailored catalysts for CNT synthesis

This project involves the development of tailored catalysts for CNT synthesis. more...

Supervisor(s): Harris, Andrew (Professor)