Speaker
Description
Photo-active nanomaterials are receiving increasing attention due to their prospects for light-driven applications. However, to exploit the properties of photoactive materials and access their enhanced capabilities require a fine-tuning between their topology-dependent electronic structure and the ability to integrate them into photoreactors or to deposit them on large surfaces. Subsequently, the synthetic approach, as well as post-synthesis manipulation could strongly affect the final photo-active nature of the materials and without developing a proper understanding of the electronic level changes of the material it is impossible to offer a genuine explanation for the observed physicochemical changes. By approaching this field from a computational material sciences angle, an integrated view (experiment+theory) allows researchers to develop a better understanding of the electronic behavior of the material and to connect with other possible application perspectives. The computational design of photo-active nanomaterial provides a valuable road map, outlining the common principles lying behind the diversity of materials rooted in their electronic structure, but also delimiting the imprecise border between the contrasting results and the most speculative studies. This comprehensive approach makes it ideal for the specialist but also for engineers, researchers, and students in related fields to provide individual contribution to combat the global energy crisis and offer a sustainable and competitive business model that creates value for society.
