Fig. 4: Theoretical studies of the eleven-electron transfer.
From: A tellurium iodide perovskite structure enabling eleven-electron transfer in zinc ion batteries
a Visualization of ZnCl2·1.4H2O (left) and Ch0.4Zn0.6Cl1.6·1.5H2O (right) electrolytes. b MSD and c RDF spectra derived from MD simulations. d Migration energy of chloride ions on TeO2 and perovskite surface. e Formation energy of associated redox pairs in vacuum and on perovskite surface. f Surface adsorption energy of (BzTEA)2TeI6 toward intermediate tellurium and halogen elements. Inset in f denotes the coordination between perovskite and TeCl5+ ions.
