Spectroscopy at the Advanced Light Source and theoretical calculations at the Molecular Foundry revealed the intrinsic spectroscopic signature of lithium metal and explained the origin of previous contradictory reports.
Significance and Impact
The findings provide a benchmark for further studies of lithium compounds towards the development of batteries with higher capacity and energy density.
- Lithium K-edge soft x-ray absorption spectroscopy performed on an in-situ-prepared sample in ultra-high vacuum revealed a strong peak at 55.6 eV not recorded in previous studies due to degradation.
- A newly developed computational treatment replicated the peak after accounting for the many-body response of all valence electrons to the core excitation.