Origin of electrochemical, structural and transport properties in non-aqueous zinc electrolytes [electronic resource].
- Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2016. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
- Physical Description:
- pages 3,021–3,031 : digital, PDF file
- Additional Creators:
- Argonne National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- Through coupled experimental analysis and computational techniques, we uncover the origin of anodic stability for a range of nonaqueous zinc electrolytes. By examination of electrochemical, structural, and transport properties of nonaqueous zinc electrolytes with varying concentrations, it is demonstrated that the acetonitrile Zn(TFSI)<sub>2</sub>, acetonitrile Zn(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>, and propylene carbonate Zn(TFSI)<sub>2</sub> electrolytes can not only support highly reversible Zn deposition behavior on a Zn metal anode (≥99% of Coulombic efficiency), but also provide high anodic stability (up to ~3.8 V). The predicted anodic stability from DFT calculations is well in accordance with experimental results, and elucidates that the solvents play an important role in anodic stability of most electrolytes. Molecular dynamics (MD) simulations were used to understand the solvation structure (e.g., ion solvation and ionic association) and its effect on dynamics and transport properties (e.g., diffusion coefficient and ionic conductivity) of the electrolytes. Lastly, the combination of these techniques provides unprecedented insight into the origin of the electrochemical, structural, and transport properties in nonaqueous zinc electrolytes
- Published through SciTech Connect., 01/14/2016., "121643", ACS Applied Materials and Interfaces 8 5 ISSN 1944-8244 AM, and Sang -Don Han; Nav Nidhi Rajput; Xiaohui Qu; Baofei Pan; Meinan He; Magali S. Ferrandon; Chen Liao; Kristin A. Persson; Anthony K. Burrell.
- Funding Information:
- AC02-06CH11357 and AC02-05CH11231
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