AI Article Synopsis

  • - The study investigates how calcium (Ca) interacts with different solvents using advanced techniques like calcium L-edge soft X-ray absorption spectroscopy (XAS) and simulations, revealing that the number of solvent molecules around Ca decreases with higher electrolyte concentrations and larger solvent molecules.
  • - Calcium L-edge soft XAS proves to be highly sensitive to the chemical environment surrounding the calcium ions, making it a useful tool for understanding molecular interactions.
  • - The research highlights the potential applications of these findings for battery technology, specifically in examining the interface between electrolytes and electrodes during electrochemical reactions in real-time conditions.

Article Abstract

The solvation shell structures of Ca in aqueous and organic solutions probed by calcium L-edge soft X-ray absorption spectroscopy (XAS) and DFT/MD simulations show the coordination number of Ca to be negatively correlated with the electrolyte concentration and the steric hindrance of the solvent molecule. In this work, the calcium L-edge soft XAS demonstrates its sensitivity to the surrounding chemical environment. Additionally, the total electron yield (TEY) mode is surface sensitive because the electron penetration depth is limited to a few nanometers. Thus this study shows its implications for future battery studies, especially for probing the electrolyte/electrode interface for electrochemical reactions under /operando conditions.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055519PMC
http://dx.doi.org/10.1039/d0ra05905fDOI Listing

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  • - Calcium L-edge soft XAS proves to be highly sensitive to the chemical environment surrounding the calcium ions, making it a useful tool for understanding molecular interactions.
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