Multiscale computer modelling, synthesis and rational design of photo(electro)catalysts for efficient visible-light-driven seawater splitting - CatWatSplit

Project summary

In this project main focus is given to performance of the photo(electro)catalysts in chlorine containing solutions in order to approach the conditions of photoelectrochemical splitting of sea water, a subject which has been little explored so far. The project aims at development of a set of techniques starting from synthesis of catalytic materials based on atomistic modeling to fabrication of seawater splitting device prototype. The experimental investigations will be based on the computer modeling of hydrogen, oxygen, and chlorine evolution reactions and theoretical characterizations of the photo(electro)catalysts. Benefiting from strong synergies with contemporary research efforts in photocatalysis, electrocatalysis, and computational materials science this project will result in improvements in efficiency, durability, and, consequently, in the cost of photoelectrochemical reactors allowing efficient production of hydrogen and chlorine-based disinfectants from sea water.