Origin of Electrochemical, Structural, and Transport Properties in Nonaqueous Zinc Electrolytes

ACS Applied Materials & Interfaces
Sang-Don HanAnthony K Burrell

Abstract

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)2, acetonitrile-Zn(CF3SO3)2, and propylene carbonate-Zn(TFSI)2 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 vs Zn/Zn(2+)). 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. The combination of these techniques provides unprecedented insight into the origin of the electrochemical, structural, and transport properties in nonaqueous zinc electrolytes.

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Citations

Aug 9, 2016·Journal of Chemical Theory and Computation·Xiaohui Qu, Kristin A Persson
Sep 15, 2016·Journal of the American Chemical Society·Ning ZhangJun Chen
Nov 3, 2016·ACS Applied Materials & Interfaces·Hyun Deog YooJordi Cabana
Apr 28, 2018·Topics in Current Chemistry·Nav Nidhi RajputKristin A Persson
Nov 28, 2018·ChemSusChem·William ManalastasMadhavi Srinivasan
Mar 16, 2019·Physical Chemistry Chemical Physics : PCCP·Masahiro ShimizuSusumu Arai
Nov 2, 2019·Science·Jingxu ZhengLynden A Archer
Jun 2, 2020·Chemical Society Reviews·Ning ZhangJun Chen
Jul 2, 2021·Angewandte Chemie·Fabian M SchuettTimo Jacob
Jul 22, 2021·Angewandte Chemie·Xuan QiuYonggang Wang
Jul 7, 2018·ACS Applied Materials & Interfaces·Chao ShenBingqing Wei
Mar 18, 2020·ACS Applied Materials & Interfaces·Sanjoy MondalMasayoshi Higuchi
Aug 22, 2021·Chemical Record : an Official Publication of the Chemical Society of Japan ... [et Al.]·Kexing CaiXin Liu
Jul 20, 2019·The Journal of Physical Chemistry Letters·Artem Baskin, David Prendergast
Aug 17, 2019·ACS Applied Materials & Interfaces·Ning ZhangFangyi Cheng
Nov 23, 2021·Advanced Materials·Yanqun LvShimou Chen

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