Physical, Theoretical & Computational

Photocatalysis and Charge Transfer at Interfaces and Nanomaterials (#344)

This symposium presents current frontiers in computational, experimental and theoretical studies of photoreactions in order to facilitate a synergistic interdisciplinary effort towards computationally assisted design of novel energy materials with the primary focus on photocatalytic and photovoltaic applications. Symposium facilitates development of unified framework for understanding and optimizing efficiency of photo-catalytic and photovoltaic protocols of solar energy conversion. Basic processes contributing to photo-reactions: light absorption, formation and breaking of charge transfer excitations, hot carrier relaxation, and reaction dynamics at catalytic sites -- all are concerted with each other, with lattice vibrations, with solvent polarization, and with proton transfer. Time scales and efficiency of photocatalytic processes are tuned by versatile modification of materials ranging from Change of composition, quantum confinement, size, shape, surface functionalization, doping, to super-structural arrangements of ordered arrays of nano-crystals. This is a third symposium on Computational Photocatalysis. First and second took place in Denver, Colorado, USA (2011) and Indianapolis, Indiana, USA (2013).
Last update: Dec 28, 2015