A facile surface alloy-engineering route to enable robust lithium metal anodes

Zhao, Yan; Liao, Xiaobin; Liu, Qian; Liu, Xiaolin; Zhu, Siming; Zhao, Kangning

doi:10.1039/d1cp04920h

Cited by 9 publications

(6 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Young et al also adopted AIMD simulations, and they found that EC broke down more quickly on Li and Ca surfaces than on Al because the charge transfer is in a larger amount and at a much faster pace on Li and Ca owing to their lower electronegativity and ionization energies . Electrode surface treatment and electrode engineering are effective approaches to passivating such anode surfaces and dampening their high reactivities. ,, The Li-rich alloys, including LiCu, LiGa, LiMg, and LiZn, were investigated regarding their ability to suppress the electrolyte decomposition compared with Li metal anodes. The electron transfer between the anode and electrolyte molecules is efficiently reduced when adopting these alloy systems, especially LiGa, demonstrating their robust stability against electrolytes …”

Section: Electrode–electrolyte Interfacial Reactionsmentioning

confidence: 99%

“…Electrode surface treatment and electrode engineering are effective approaches to passivating such anode surfaces and dampening their high reactivities. ,, The Li-rich alloys, including LiCu, LiGa, LiMg, and LiZn, were investigated regarding their ability to suppress the electrolyte decomposition compared with Li metal anodes. The electron transfer between the anode and electrolyte molecules is efficiently reduced when adopting these alloy systems, especially LiGa, demonstrating their robust stability against electrolytes …”

Section: Electrode–electrolyte Interfacial Reactionsmentioning

confidence: 99%

“…The electron transfer between the anode and electrolyte molecules is efficiently reduced when adopting these alloy systems, especially LiGa, demonstrating their robust stability against electrolytes. 525 As the electron transfer is involved in interfacial reactions, the charge states of the electrode surface also influence the electrolyte decomposition. 97,526 Camacho-Forero et al incorporated an external source of electrons (Q exc ) into the original Li metal anode to distinguish between the uncharged and charged interfaces, which corresponds to the operating conditions of the open-circuit and applied potentials in a working cell, respectively.…”

Section: Electrode−electrolyte Interfacial Reactionsmentioning

confidence: 99%

See 2 more Smart Citations

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

et al. 2022

View full text Add to dashboard Cite

Rechargeable batteries have become indispensable implements in our daily life and are considered a promising technology to construct sustainable energy systems in the future. The liquid electrolyte is one of the most important parts of a battery and is extremely critical in stabilizing the electrode–electrolyte interfaces and constructing safe and long-life-span batteries. Tremendous efforts have been devoted to developing new electrolyte solvents, salts, additives, and recipes, where molecular dynamics (MD) simulations play an increasingly important role in exploring electrolyte structures, physicochemical properties such as ionic conductivity, and interfacial reaction mechanisms. This review affords an overview of applying MD simulations in the study of liquid electrolytes for rechargeable batteries. First, the fundamentals and recent theoretical progress in three-class MD simulations are summarized, including classical, ab initio, and machine-learning MD simulations (section 2). Next, the application of MD simulations to the exploration of liquid electrolytes, including probing bulk and interfacial structures (section 3), deriving macroscopic properties such as ionic conductivity and dielectric constant of electrolytes (section 4), and revealing the electrode–electrolyte interfacial reaction mechanisms (section 5), are sequentially presented. Finally, a general conclusion and an insightful perspective on current challenges and future directions in applying MD simulations to liquid electrolytes are provided. Machine-learning technologies are highlighted to figure out these challenging issues facing MD simulations and electrolyte research and promote the rational design of advanced electrolytes for next-generation rechargeable batteries.

show abstract

Section: Electrode–electrolyte Interfacial Reactionsmentioning

confidence: 99%

Section: Electrode–electrolyte Interfacial Reactionsmentioning

confidence: 99%

Section: Electrode−electrolyte Interfacial Reactionsmentioning

confidence: 99%

See 1 more Smart Citation

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

et al. 2022

View full text Add to dashboard Cite

show abstract

“…This concept is interesting since most of Li alloys possess higher Li diffusion coefficient than pure lithium, which contributes to enhanced electrochemical kinetics and reduces the dendrites growth [51] . In addition, Li‐rich alloys limit the parasitic reactions between the anode and the electrolyte [52] and could be more air‐stable than pure lithium facilitating their manipulation and storage in dry room [53] . Several metals to date have been sputtered on Li metal such as Al, [53] Si, [54] Cu, [55] Au [56] and Zn [56,57] …”

Section: Introductionmentioning

confidence: 99%

High Performance Lithium Metal Anode with a Nanolayer of LiZn Alloy for All‐Solid‐State Batteries

Delaporte

Péréa

Collin-Martin

et al. 2022

Batteries & Supercaps

View full text Add to dashboard Cite

All‐solid‐state batteries (ASSB) require stable and safe lithium (Li) metal anode, which needs surface preparation to increase lithium diffusion and impede the formation of dendrites. In this work, the formation of a thin LiZn layer on lithium metal using sputter deposition is reported. This method was selected due to the absence of solvents and by‐products generated during the modification, for its rapidity and because the formation of the alloy is performed in a clean and controlled atmosphere. Zinc has been chosen for its low cost and high Li+ ion diffusion coefficient of the corresponding LiZn alloy that is 1000 times higher than Li. Different parameters for the Zn deposition were investigated such as the distance between the Zn target and Li foil, the effect of substrate tilt and the direct current applied to the target. Electrochemical performance of LiFePO4/solid polymer electrolyte/Li ASSB demonstrated the superiority of the LiZn anodes and the clear influence of deposition parameters on the durability and performance at high C‐rates. Scanning electron microscopy images of the cross‐sectional view of LFP/SPE/Li stackings extracted from pouch cells after cycling showed an evident migration of Zn into the bulk Li metal anode as well as the formation of AlZn nanoparticles.

show abstract

“…To improve the performance of the LLMB, we can borrow two main ideas from the LMB strategy. One is to homogenize the nucleation process of lithium in the anode, and the other is to optimize the SEI layer. − For the nucleation process of lithium, lithiophilic substrates such as Li–Au, ,− Li–Ag, , and Li–Zn , alloys are often used to reduce the nucleation overpotential of lithium and thus achieve homogeneous deposition. Huang et al used Au-modified Cu foil as a current collector and paired it with a Li 2 S cathode to construct AFLMB with a very high energy density up to 626 W kg –1 .…”

Section: Introductionmentioning

confidence: 99%

One-Pot Preparation of Lithium Compensation Layer, Lithiophilic Layer, and Artificial Solid Electrolyte Interphase for Lean-Lithium Metal Anode

et al. 2022

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Lithium metal is an ideal anode for high-energy-density batteries. However, the low Coulomb efficiency and the generation of dendrites pose a significant limitation to its practical application, while the excess lithium in the battery also generates serious safety concerns. Herein, a layer-by-layer optimized multilayer structure integrating an artificial solid electrolyte interphase (LiF) layer, a lithiophilic (Li x Au alloy) layer, and a lithium compensation layer is reported for a lean-lithium metal battery, where each layer acts synergistically to stabilize the lithium deposition behaviors and enhances the cycling performance of the battery. The optimized anode could effectively induce homogeneous reversible lithium deposition under the synergistic effect of multilayer films and keep the integrity of the morphological structure unbroken during the deposition. The presence of the lithium compensation layer allows the half-cell to have a high initial CE of 158.9%, and the action of the LiF layer and lithiophilic layer maintains an average CE of 98.8% over 160 cycles, which further demonstrates the stability of the structure. As a result, when combined with LiFePO4 cathode, an initial capacity of 148 mAh g–1 and a retention rate of 97.5% over 130 cycles were achieved.

show abstract

A facile surface alloy-engineering route to enable robust lithium metal anodes

Abstract: The Li-rich alloy has been developed as the advanced artificial SEI layer to suppress the formation of Li dendrite and parasitic reactions on the Li metal anode. Here, we systematically...

Cited by 9 publications

References 39 publications

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

High Performance Lithium Metal Anode with a Nanolayer of LiZn Alloy for All‐Solid‐State Batteries

One-Pot Preparation of Lithium Compensation Layer, Lithiophilic Layer, and Artificial Solid Electrolyte Interphase for Lean-Lithium Metal Anode

Contact Info

Product

Resources

About