In the area of rechargeable solid-state batteries, we are interested in theoretical understanding of interfacial properties of Li and beyond-Li cathode materials. Our current focus is on unveiling degradation mechanisms of electrode materials in both aqueous and organic media. Our studies are expected to shed more light onto basic electrochemical properties of battery materials that would enable higher energy densities, increased charging speed and longer lifespan.
Funding Sources: NSF-CBET
Representative publications
Intan N.N., Klyukin K. and Alexandrov V. “Ab initio modeling of transition metal dissolution from the LiNi0.5Mn1.5O4 cathode.
ACS Applied Materials & Interfaces 11, 20110-20116 (2019)