RESEARCH / A0003
Solvation Reconfiguration Enables Two‐Electron Iodine Chemistry Through Chloride Activation for High‐Energy Zn–Iodine Flow Batteries
Read the original paper · 10.1002/anie.4798889 ↗
Source figures may contain other techniques and soft X-ray spectra. C, N and O measurements are outside our current hard-XAFS testing range.
FIGURE 1 Rational screening of cosolvents and solvation structure reconfiguration. (a) Solvent selection map of 14 common solvents as a function of the DN and α. (b) Molecular dynamics simulation snapshot of DMF-based co-solvent electrolyte (DMF electrolyte), DMSO electrolyte, EtOH electrolyte and WIS electrolyte, and representative coordination environments of Zn2+ from MD simulations. (c) Normalized Zn K-edge XANES spectra of DMF electrolyte, DMSO electrolyte, WIS electrolyte, solid ZnCl2, and Zn reference. (d) Wavelet transforms (WTs) for the k3-weighted EXAFS signals at Zn K-edge of DMF electrolyte, DMSO electrolyte, EtOH electrolyte and WIS electrolyte. Radial distribution function g(r) and cumulative radial distribution function n(r) in four electrolytes as functions of distance r between (e) Cl−and O atoms, and (f) I+ and Cl−. (g) Representative coordination environments of I+ in four electrolytes from MD simulations. (h) Photographs of four electrolytes after the addition of 0.1 M ICl and standing at room temperature for 1 h and (i) their corresponding Raman spectra.