Effect of Li+Addition during Initial Stage of Electrodeposition Process on Nucleation and Growth of Zn

Yusuke Onabuta, Masahiro Kunimoto, Songyi Wang, Yasuhiro Fukunaka, Hiromi Nakai, Takayuki Homma*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Zn negative electrodes are expected to be used in next-generation batteries. However, irregular shape evolution, such as mossy structures, limits its practical applications. Cationic additive species are useful in suppressing this, and Li+ is a promising species. To identify the effect of Li+ on the nucleation and growth of Zn, this study analyzed the Zn aggregation behavior during electrodeposition with Li+ at the initial stage via experimental methods and theoretical calculations using density functional theory and kinetic Monte Carlo simulations. The results suggest that Li+ affected the surface diffusion of Zn adatoms, changing the nucleation and growth during the initial stage of deposition. Li+ allows Zn adatoms to diffuse rapidly owing to the mitigation of the solvation effect on surface diffusion by forming rigid solvation of Li+ in the vicinity of the surface. This results in two-dimensional nucleation of the Zn(0001) facet, which is supported by the X-ray diffraction measurements. Li+ mitigates protrusion as the initial structure of the mossy structure. This analysis provides valuable insight into the control of the behavior of Zn adatoms and their nucleation and growth.

Original languageEnglish
Article number092504
JournalJournal of the Electrochemical Society
Volume169
Issue number9
DOIs
Publication statusPublished - 2022 Sep

Keywords

  • Additive
  • Density functional theory calculation
  • Kinetic Monte Carlo simulation
  • Nucleation and growth
  • Zn electrodeposition

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Materials Chemistry

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