Tailored Redox Functionality Of Small Organics For Pseudocapacitive Electrodes. Daniel C. Ralph, Cornell University, ECCS 0335765.
Daniel C. Ralph, Cornell University, ECCS 0335765
In order for intermittent alternative energy sources like solar and wind to be successful, we need to develop new energy storage systems that have high energy and power densities and that are also inexpensive. Organic materials like conducting polymers for have received a great deal of interest due to the fact that (1) the material properties can be tuned through chemistry and (2) the source materials are light weight and cheap.
In this work, researchers at Cornell have undertaken a systematic theoretical exploration of ~100 compounds to screen for possible high energy density organics. By combining knowledge from these simulations with experimental electrochemical data, the researchers have been able to establish structure-property relationships which should guide in the development of new organic energy storage systems.
Screening results for experimental and theoretical energy storage pendants.
Isodensity surfaces of (a) the HOMO for each substituted thiophene and (b) the SOMO for each substituted thiophene. Greater coplanarity of the donor group is consistent with greater electron donating strength of the substitution.
Stephen Burkhardt, Michael Lowe et al., Cornell
Simulations performed at Cornell NanoScale Facility
Energy Environ. Sci. 5, 7176 (2012).