The FOM Focus Group objectives
The FOM Focus Group Groningen has the objective to deliver the science required for the development of highly-efficient, long-lived, and low-cost organic photovoltaic devices. The approach of the FOM Focus group to reach these objectives is multi-disciplinary: in the group, three lines of research meet, namely theoretical aspects & modeling, physical characterisation (OPV device physics), and material development.
FOM Focus Group Members
The core of the FOM Focus group consists of:
Materials line (Prof. Dr. J.C. Hummelen and Dr. R. Chiechi)
The materials line is resopnsible for creating and optimizaing donor and acceptor materials to increase the efficiency and lifetime of organic photovoltaic devices. Traditionally, these materials are a conjugated polymer donor and a fullerene acceptor, but we are not limited to this paradigm. Our goal is to use the insights provided by the other lines---particular Theory and Modelling---to "engineer" new materials with the desired properties.
Research interests of Prof. Dr. J.C. Hummelen
Research interests of Dr. R. Chiechi
We are developing new conjugated polymers and improving on existing polymers to create materials that produce long-lived, highly-efficient solar cell devices. Our focus is on polymers that are scalable and, eventually, sustainable by creating polymers that can be processed into devices from methanol and/or water.
OPV Device Physics (Prof. Dr. M.A. Loi)
Research interests of Prof. Dr. M.A. Loi
Modeling and Theory (Dr. L.J.A. Koster and Dr. R.W.A. Havenith)
The Modeling and Theory line focusses on the prediction of (material) properties from molecular structure using electronic structure methods, and on the prediction of the performance of the solar cell from material properties using an optoelectronic device model.
Relevant questions for a directed design of new photovoltaic materials are concerned with the relation between structure and photo-excitation, exciton mobility in polymers, electron/hole transfer in interfaces, and stability and durability. To answer these questions, state-of-the-art Density Functional Theory (DFT) and ab initio calculations will be performed. For interpretation of the results in terms of chemical concepts, Valence Bond theory will be used.
Research interests of Dr. L.J.A. Koster
Research interests of Dr. R.W.A. Havenith
My main research interest is the application and development of ab initio methods for the calculation of molecular properties and to relate the properties to the electronic structure. An application I am interested in is the quantification of the aromaticity of organc and inorganic systems. Measures of the aromaticity are the strength of the induced current density by an external magnetic field and the resonance energy. The former can be calculated and visualised using response theory, the latter using Valence Bond theory. Another application is the calculation of photophysical properties of materials, and in particular unraveling the mechanism of singlet-fission.
I am an active developer of the GAMESS-UK program package, and of the Valence Bond program TURTLE (which is a part of GAMESS-UK). In my research, all kinds of methods are used (DFT, CASSCF, CASPT2, MRCI, CCSD, and VB). Program packages that we use in our group are MOLCAS, DALTON, GAMESS-UK, TURTLE, COLUMBUS, ACES III, NWCHEM, TurboMole, SYSMO, and CRYSTAL.