Δευτέρα 17 Οκτωβρίου 2016
- Γιώργος Τριτσάρης
- School of Engineering and Applied Sciences, Harvard University, USA
- Computational approaches to nanostructured interfaces for energy applications
- Αίθουσα A2 (Α115-Α117) του κτιρίου Επιστήμης Υπολογιστών
The growing worldwide demand for energy is today a major driver of innovation in materials for environmentally acceptable energy conversion and storage. Alongside with advances at the forefront of nanoscience in the lab, materials theory and atomistic simulation are used to elucidate the physicochemical processes that govern the properties of novel materials at the nanoscale. I will discuss theoretical concepts, and computational strategies based on electronic structure methods for obtaining insights into the optoelectronic properties of selected nanostructured surfaces and interfaces that can direct the design of materials solutions for clean energy technologies: photoexcited semiconductor/adsorbate interfaces are investigated within the framework of time-dependent density functional theory, and the electronic structure of commensurate and incommensurate layered assemblies is studied using perturbation theory.