  Electrolyte stability against oxidation is one of the important factors
limiting the development of high energy density batteries. HOMO level of
solvent molecules has been successfully used for understanding trends in their
oxidative stability but assumes a non-interacting environment. However, solvent
HOMO levels are renormalized due to molecules in their solvation shells. In
this work, we first demonstrate an inexpensive and accurate method to determine
the HOMO level of solvent followed by simple descriptors for renormalization of
HOMO level due to different electrolyte components. The descriptors are based
on Gutmann Donor and Acceptor numbers of solvent and other components. The
method uses fast GGA-level DFT calculations compared to previously used
expensive, experimental data dependent methods. This method can be used to
screen for unexplored stable solvents among the large number of known organic
compounds to design novel high voltage stable electrolytes.
