简介: |
Future technologies will require new paradigms in design, functionality, scalability and a reduction in power consumption to meet our global energy challenges. Hybrid inorganic-organic systems (HIOS) offer a promising route because they may combine the best features of two distinct material classes or even achieve entirely new synergies. My group is developing quantum mechanical techniques (e.g. density-functional theory and Green’s function methods) and computer programs to describe such hybrid systems .The atomistic insight helps us to reach a quantum mechanical understanding of hybrid systems and to improve their properties for future devices. In this presentation, I will first address the structure and morphology at C60/TiO2 interfaces. Then, I will address charge carrier dynamics[1]. Last, I will address the question whether charge at organicinorganic interfaces transfers to a molecule as a whole unit (integer charge transfer (ICT)) or resides on several molecules simultaneously (partial charge transfer (PCT))[2].
[1] H. Sezen, H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke, and C. W¨oll, Nat. Commun. 6, 6901 (2015)
[2] O. T. Hofmann, P. Rinke, M. Scheffler and G. Heimel, ACS Nano 9, 5391 (2015)
个人简介：Professor Patrick Rinke graduated from the University of York in England in 2003 with a Ph.D. in theoretical physics. He is now a Group leader of the Computational Electronic Structure Theory Group. His research interests is developing advanced electronic structure methods and applies them to pertinent problems in material science, surface science, physics, chemistry and the nano sciences.
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