Frontispiece: 1, 2‐Dimethoxyethane Degradation Thermodynamics in Li−O2 Redox Environments. Issue 48 (21st November 2016)

• Record Type: Journal Article
• Authors: Carboni, Marco; Marrani, Andrea Giacomo; Spezia, Riccardo; Brutti, Sergio
• Is Part Of: Chemistry. Volume 22:Issue 48(2016)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-11-21
• Subjects: batteries -- computational chemistry -- density functional calculations -- lithium -- thermodynamics; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201684862
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract : Ether Stability in Li−O2 Batteries The development of reliable and long‐lasting Li−O2 batteries requires the mitigation of the complex parasitic chemistry that occurs upon cycling. The key initiator of the parasitic reactivity in nonaqueous Li−O2 cells is the superoxide anion O2 −, which is unavoidably formed upon reduction. To pave the way for a rational design of new solvent molecules, the thermodynamics of 1, 2‐dimethoxyethane, a model solvent commonly used in electrolytes for Li−O2 rechargeable batteries, were modeled in Li−O2 redox environments with density functional calculations, as reported by R. Spezia, S. Brutti et al. in their Full Paper onpage 17188 ff.