Density functional investigation of the interaction of H2O with spinel Li1-xMn2O4 surfaces: Implications for aqueous Li-ion batteries

George, Gibu; Posada‐Pérez, Sergio; Poater, Albert; Solà, Miquel

doi:10.1016/j.apsusc.2022.155822

Cited by 8 publications

(5 citation statements)

References 71 publications

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“…In other words, if the delithiation process occurs at lower voltages than the limiting potential, the OER will not occur at this Li concentration. It may happen specially on configurations with high Li content as it was predicted for the LiMn 2 O 4 cathode material [56] …”

Section: Resultsmentioning

confidence: 83%

“…It may happen specially on configurations with high Li content as it was predicted for the LiMn 2 O 4 cathode material. [56] Table 2 collects the delithiation voltage and limiting potentials required to produce OER [Equations ( 2)-( 5)] and LOER [Equations ( 6)-( 9)]. Table 2 reported as well the predicted overpotential, i. e., the difference between the limiting potential and the equilibrium potential (1.23 V).…”

Section: Resultsmentioning

confidence: 99%

“…In fact, the hydroxyl coverage can help to reduce the catalytic activity of the cathode towards OER, as observed for LiMn 2 O 4 . [56] Nevertheless, the hydroxyl ions come from the water molecules of the electrolyte, and it depleted the concentration of the aqueous electrolyte in the battery. Aqueous batteries rely on the mobility of ions in the electrolyte for charge transport between the electrodes.…”

Section: Resultsmentioning

confidence: 99%

“…It is important to remark that the anchoring of hydroxyl groups on the surface of the cathode may not be detrimental per se . In fact, the hydroxyl coverage can help to reduce the catalytic activity of the cathode towards OER, as observed for LiMn 2 O 4 [56] . Nevertheless, the hydroxyl ions come from the water molecules of the electrolyte, and it depleted the concentration of the aqueous electrolyte in the battery.…”

Section: Resultsmentioning

confidence: 99%

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Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

George,

Poater,

Solà

et al. 2023

Batteries & Supercaps

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Aqueous lithium‐ion batteries (ALIBs) are attracting significant attention as promising candidates for safe and sustainable energy storage systems. This paper delves into the crucial aspects of ALIB technology focusing on the interaction between LiCoO2 (lithium cobalt oxide) cathode material and water electrolytes, with a specific emphasis on the Oxygen Evolution Reaction (OER) process. Fundamental understanding of the electrochemical behavior of LiCoO2 in aqueous electrolytes is crucial for enhancing the performance, safety, and longevity of ALIBs using LiCoO2 as the cathode material.Through a comprehensive periodic density functional analysis of the LiCoO2‐water at the cathode interface, the potential catalytic contributions to the OER mechanism of LiCoO2 are explored. The catalytic properties of LiCoO2 towards OER are investigated considering different steady states of the lowest energy surfaces of LiCoO2 and three different Li concentrations. Our results do not predict the formation of oxygen gas due to the expected large overpotentials, although the exergonic water decomposition to hydroxyl by means the first proton‐electron transfer is predicted at equilibrium potential. This work contributes to the fundamental understanding of LiCoO2 as cathode for aqueous lithium‐ion batteries, reporting the pros and cons of one of the most common cathode materials for traditional non‐aqueous batteries.

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Section: Resultsmentioning

confidence: 83%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

George,

Poater,

Solà

et al. 2023

Batteries & Supercaps

Self Cite

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“…The most widely used cathode active material for portable secondary LiBs so far is LiCoO 2 (LCO), due to its wide application temperature range (~10–100 °C), high specific and bulk capacitance, low self-discharge and the longest lifetime among currently available materials [ 13 , 14 ]. LiMn 2 O 4 (LMO) represents a cheaper alternative to cathode active material; it is used in a variety of applications such as drills and other power tools, medical devices, e-bikes and also EVs [ 15 , 16 ].…”

Section: Characterization Of Portable Libsmentioning

confidence: 99%

Current Trends in Spent Portable Lithium Battery Recycling

et al. 2023

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This paper provides an overview of the current state of the field in spent portable lithium battery recycling at both the research and industrial scales. The possibilities of spent portable lithium battery processing involving pre-treatment (manual dismantling, discharging, thermal and mechanical-physical pre-treatment), pyrometallurgical processes (smelting, roasting), hydrometallurgical processes (leaching followed by recovery of metals from the leachates) and a combination of the above are described. The main metal-bearing component of interest is the active mass or cathode active material that is released and concentrated by mechanical-physical pre-treatment procedures. The metals of interest contained in the active mass include cobalt, lithium, manganese and nickel. In addition to these metals, aluminum, iron and other non-metallic materials, especially carbon, can also be obtained from the spent portable lithium batteries. The work describes a detailed analysis of the current state of research on spent lithium battery recycling. The paper presents the conditions, procedures, advantages and disadvantages of the techniques being developed. Moreover, a summary of existing industrial plants that are focused on spent lithium battery recycling is included in this paper.

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Ab initio study of LiMn2O4 cathode: electrochemical and optical properties for li-ion batteries and optoelectronic devices

Erraji,

Masrour,

2024

Ionics

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Density functional investigation of the interaction of H2O with spinel Li1-xMn2O4 surfaces: Implications for aqueous Li-ion batteries

Cited by 8 publications

References 71 publications

Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

Current Trends in Spent Portable Lithium Battery Recycling

Ab initio study of LiMn2O4 cathode: electrochemical and optical properties for li-ion batteries and optoelectronic devices

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Density functional investigation of the interaction of H2O with spinel Li1-xMn2O4 surfaces: Implications for aqueous Li-ion batteries

Cited by 8 publications

References 71 publications

Unveiling Oxygen Evolution Reaction on LiCoO2 Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

Unveiling Oxygen Evolution Reaction on LiCoO2 Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

Current Trends in Spent Portable Lithium Battery Recycling

Ab initio study of LiMn2O4 cathode: electrochemical and optical properties for li-ion batteries and optoelectronic devices

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Product

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Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries

Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries