Molecular Energy Materials
Figure 1. Oriented THz absorption spectra of methyl benzyl imidazole single crystal capable of sustaining an ordered polar phase at room temperature taken in our lab using a time-domain THz spectrometer.
Materials capable of effectively storing applied energy density remain of the utmost importance. Among material properties central to energy storage applications, the spontaneous polarization of a ferroelectric material provides an efficient mechanism to store the energy in an electric field applied across its boundaries. However, traditional ferroelectrics contain toxic elements such as lead and drive the need for new materials for energy storage applications
Our group is exploring the ferroelectric properties of hydrogen-bonded crystals formed from small molecules for next generation energy storage materials. We aim to understand the relationship of molecular and crystal structures to maximum polarization amplitudes, minimized residual polarization, and determinants of stability between ferroelectric and anti-ferroelectric phases. To do this, we couple near-infrared and THz light to develop and utilize novel multidimensional spectroscopic techniques. Studies using these methods will uncover the critical role of anharmonic coupling in these fascinating materials and help design environmentally friendly ferroelectric materials for next generation energy storage applications.
Representative publications:
1) 'Structural Anharmonicity Explains Continuous Frequency Shifts of Intramolecular Ring Vibrations in a Hydrogen-Bonded Antiferroelectric Crystal', Sydney N. Lavan, Cathleen A.Saraza, Kanwar Bhullar*, Sardou Sabeyo-Yonto*, Adedayo M. Sanni, and Aaron S. Rury, The Journal of Physical Chemistry C, 2020, 124, pp 12933-12947