Toward the understanding of Solid-electrolyte/electrode interfaces of all-solid-state Batteries: multiscale modelling approach

The smooth societal transition towards zero carbon emission technologies, from fossil fuel to renewable energy sources only, including transition from combustion engine-power cars to electrical vehicles, requires efficient and safe energy storage technologies [1-3]. Among the various battery technologies being available today, all-solid-state batteries (ASSBs) have attracted considerable attention, because of their several advantages, including the high thermal stability, non-flammability, long lifetime and enables the use of lithium metal anode (theoretical specific capacity 3862 mAh g-1), which would increase considerably the performance of the ASSBs [4,5]. However, the realization of ASSBs is hindered by limited understanding of the nanometer-thin solid-state electrolyte/electrode buried interfaces. In this talk, we present our recent findings and theoretical developments on the nanometer-thin Solid-State Electrolyte and Electrode interfaces of polymer-based electrolyte in combination with different anode and cathode electrode interfaces. By combining multiscale (atomistic to continuum scale) framework with surfaces (SEM, XPS, XRD, TofSIMS, AFM) and electrochemical techniques (including Electrochemical Impedance Spectroscopy), the structural origin of interfacial resistance, the degradation mechanisms and the lithium-ion transport mechanism at the anode and cathode interfaces at different working/environmental conditions (Electric field, temperature, state of charge, etc.) are now better understood. As a result, the strategy of hybrid multiscale experiment and computational framework paves the way towards further understanding and (re-)designing highly compatible and stable electrolyte/electrode interfaces, which can be extended to other energy conversion and storage devices. Some of the findings will be discussed during the presentation.



References
1. K. Dahal, et al., Sustain. Cities and Soc., 2018, 40, 222.
2. V. Stamenkovic, et al., Nat. Mater., 2017, 16, 57.
3. M. Whittingham, MRS Bull., 2008.
4. K. Takada, et al., ACS Energy Lett., 2018, 3, 98.
5. A. Zhamu, et al., Energy Environ. Sci., 2012, 5, 5701.