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Moncrief Grand Challenge Faculty Awards Program

Irene GambaGroup Leader, ICES Applied Mathematics Group
Professor, Mathematics

Research Topic: “Boltzmann-Poisson Systems Modeling - Applications Nanostructured Semiconductor Photocatalysts for High Efficiency Photoelectrochemical Devices”

Abstract: This Grand Challenge project focuses on computational models associated with nanostructured semiconductor photocatalysts for high efficiency photoelectrochemical (PEC) devices for the direct conversion of solar photons into H2 via water electrolysis. The ultimate goal is to aid, by design from model driven experiments, the development of innovative forms of solar power. From the design and simulation point of view, we will simulate realistic models for comparison with experimental measurements that are not readily available from current theoretical research in PEC materials, especially for nanostructures. This approach (which entices a numerical approximation by discontinuous Galerkin methods applied to charge transport modeled by the semi-classical kinetic Boltzmann-Poisson (B-P) system) provides a framework for modeling electron/hole transport, integrating short-range interactions via scattering and long-range forces through coupling with the Poisson equation for total charge.