The electromagnetic field, driving photocatalysis, is not homogeneous on a nanoscale for particle-based catalysts as it is influenced by the particle’s shape and size. The work presents a simple model for the impact of these heterogeneities on the photocatalytic kinetics by combining kinetic Monte Carlo with electromagnetic wave simulations.
M. Hammerschmidt, et al. Field Heterogeneities and Their Impact on Photocatalysis: Combining Optical and Kinetic Monte Carlo Simulations on the Nanoscale. The Journal of Physical Chemistry C, 124(5), 3177 (2020).