The Research of PATHWAYS
Numerical modelling for nanophotonics-enabled photocatalysis
Full-wave electromagnetic interactions
Models will accurately simulate the optical behaviour of complex NP shapes, accounting for relevant features as hot spots and collective resonances. Including sub-NP spatial resolution will enable to control where photons are mostly absorbed, for tuning reactions in those regions. The techniques to solve Maxwell’s equations being well established, challenges regard the transient nonlinearities induced by a train of fs-pulses. For that, material permittivity changes due to electron/thermal effects18 will be consistently included
Thermal transport
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Hot carrier ultrafast dynamics
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Chemical species kinetics
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The aims of PATHWAYS
Combining concepts from nanophotonics, chemistry and thermodynamics , PATHWAYS aims at developing a numerical platform