Rational design of oxynitride materials: From theory to experiment

In this communication, we present an elegant and cost effective strategy for the rational design of novel materials used in the conversion of solar energy into chemical bonds. The strategy relies on the combination of theory and the latest developments in high-resolution XAS/XES at synchrotrons, which are able to map the material electronic structure with high precision, requiring a very limited amount of sample (experimental work) or none (theory).