RESUMEN
Aqueous zinc ion batteries have gained research attention as a safer, economical and more environmentally friendly alternative to lithium-ion batteries. Similar to lithium batteries, intercalation processes play an important role in the charge storage behaviour of aqueous zinc ion batteries, with the pre-intercalation of guest species in the cathode being also employed as a strategy to improve battery performance. In view of this, proving hypothesized mechanisms of intercalation, as well as rigorously characterizing intercalation processes in aqueous zinc ion batteries is crucial to achieve advances in battery performance. This review aims to evaluate the range of techniques commonly used to characterize intercalation in aqueous zinc ion battery cathodes, providing a perspective on the approaches that can be utilized to rigorously understand such intercalation processes.
RESUMEN
We show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy axis and apply a matched filter on that axis. On the example of a nerve agent molecule, we show that this allows detection of a molecule by its vibrational spectrum, even when the recorded spectrum is completely buried in noise when conventional spectroscopic detection is impossible. Detection is predicted to be possible with signal-to-noise ratios in the recorded spectra as low as 0.1. We have studied the importance of the spectral range used for detection as well as of the quality of the computed spectrum used to program the filter, specifically, the role of anharmonicity, of the exchange correlation functional, and of the basis set. The use of the full spectral range rather than of a narrow spectral window with key vibrations is shown to be advantageous, as well as accounting for anharmonicity.
