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Modelling charge transfer in donor-acceptor molecule using TDDFT and Spintronics of main-metal organometallic chains

Two projects: (i) To identify the charge transfer mechanism in donor-bridge-acceptor molecules, whether superexchange or sequential hopping or a different mechanism, for the systems more...

Supervisor(s): Stampfl, Catherine (Professor)

Catalysis of Sustainable Processes

Available projects involve the development of novel catalysts for the generation of hydrogen by splitting water with sunlight, for biomass conversion, for green industrial oxidation more...

Supervisor(s): Masters, Tony (Professor)

Organometallics and Catalysis

The projects will focus on novel monometallic and multimetallic transition metal catalysts as well as new methodologies for catalysis and developing surface supported catalysts. The more...

Supervisor(s): Messerle, Barbara (Professor)

Using computer simulations to design better printable solar cells

The ability to print efficient, stable and cheap solar cells near ambient conditions would revolutionise our transition to renewable energy.  Metal halide perovskites have more...

Supervisor(s): Widmer-Cooper, Asaph (Dr)