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Li3Bi/Li2O layer with uniform built-in electric field distribution for dendrite free lithium metal batteries

Fei Zhu,Zekai Zhang,Jie Gu,Jinting Xu,Sukum Eitssayeam,Qunjie Xu,PengHui Shi,YuLin Min

Lithium metal batteries have garnered significant attention as a promising energy storage technology, offering high energy density and potential applications across various industries. However, the formation of lithium dendrites during battery cycling poses a considerable challenge, leading to performance degradation and safety hazards. This study aims to address this issue by investigating the effectiveness of a protective layer on the lithium metal surface in inhibiting dendrite growth. The hypothesis is that continuous lithium consumption during battery cycling is a primary contributor to dendrite formation. To test this hypothesis, a protective layer of Li 3 Bi/Li 2 O was applied to the lithium foil through immersion in a BiN 3 O 9 solution. Experimental techniques including kelvin probe force microscopy (KPFM) and density functional theory (DFT) calculations were employed to analyze the structural and electronic properties of the Li 3 Bi/Li 2 O layer. The findings demonstrate successful doping of Bi into the Li coating, forming Bi-Bi and Bi-O bonds. KPFM measurements reveal a higher work function of Li 3 Bi/Li 2 O, indicating its potential as an effective protective layer. DFT calculations further support this observation by revealing a greater adsorption energy of lithium on the Li 3 Bi/Li 2 O layer compared to the bulk material. Charge density analysis suggests that the adsorption of Li atoms onto the Li 3 Bi/Li 2 O layer induces a redistribution of charge, resulting in increased electron availability on the surface and preventing electrode–electrolyte contact. This study provides insights into the role of the Li 3 Bi/Li 2 O protective layer in inhibiting dendrite growth in lithium metal batteries. By mitigating dendrite formation, the protective layer holds promise for enhancing battery performance and longevity. These findings contribute to the development of strategies for improving the stability and reliability of lithium metal batteries, facilitating their wider adoption in energy storage applications.