Dipole Moment Influences the Reversibility and Corrosion of Lithium Metal Anodes

• Published in: Advanced materials (Weinheim) 2024-08, Vol.36 (31), p.e2406359-n/a
• Main Authors: Li, Peng‐Cheng, Zhang, Zhi‐Qing, Zhao, Zi‐Wei, Li, Jing‐Qiao, Xu, Zhi‐Xiao, Zhang, Hao, Li, Ge
• Format: Article
• Language: English
• Subjects: corrosion; Corrosion cell; Corrosion tests; dipole moment; Dipole moments; electrolytes; Electrolytic cells; LiNO3; Lithium batteries; lithium metal anodes; Metal surfaces; Molecular structure; Solid electrolytes; Solvents
• ISSN: 0935-9648; 1521-4095; 1521-4095
• DOI: 10.1002/adma.202406359

Lithium metal batteries (LMBs) must have both long cycle life and calendar life to be commercially viable. However, “trial and error” methodologies remain prevalent in contemporary research endeavors to identify favorable electrolytes. Here, a guiding principle for the selection of solvents for LMBs is proposed, which aims to achieve high Coulombic efficiency while minimizing the corrosion. For the first time, this study reveals that the dipole moment and orientation of solvent molecules have significant impacts on lithium metal reversibility and corrosion. Solvents with high dipole moments are more likely to adsorb onto lithium metal surfaces, which also influence the solid electrolyte interphase. Using this principle, the use of LiNO3 is demonstrated as the sole salt in LiNi0.8Co0.1Mn0.1O2/Li cells can achieve excellent cycling stability. Overall, this work bridges the molecular structure of solvents to the reversibility and corrosion of lithium metal, and these concepts can be extended to other metal‐based batteries. The dipole moment influences the distribution and orientation of solvent molecules in the electric double layer on lithium metal surface. And these parameters have significant impacts on lithium metal reversibility and corrosion. Solvents with high dipole moments are more likely to adsorb onto lithium metal surfaces, which also influence the solid electrolyte interphase.