Materials for Clean Energy

Clean energy use and generation is one of society's grandest challenges. We apply our electronic structure theory and machine learning methods to study suitable materials for clean energy solutions. We investigate novel hybrid perovskite solar cell materials, catalysts for hydrogen production and organic light emitters and solar cells.


Database-driven high-throughput study of coating materials for hybrid perovskites, A. Seidu, L. Himanen, J. Li, and P. Rinke, New J. Phys. 21,
083018 (2019) 

Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3PbI3: Quasi-Elastic Neutron Scattering Measurements and First-Principles Analysis Including Nuclear Quantum Effects, J. Li, M. Bouchard, P. Reiss, D. Aldakov, S. Pouget, R. Demadrille, C. Aumaitre, B. Frick, D. Djurado, M. Rossi, and P. Rinke, J. Phys. Chem. Lett. 9, 3969 (2018)