Lattice constant-dependent anchoring effect of MXenes for lithium–sulfur (Li–S) batteries: a DFT study

Li, Na; Meng, Qiangqiang; Zhu, Xiaohong; Li, Zhen; Ma, Jiale; Huang, Changxiong; Song, Jun; Fan, Jun

doi:10.1039/c9nr01220f

Cited by 99 publications

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References 50 publications

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“…Owing to the high electrical conductivity (> 10 3 S•cm −1 ), MXenes could significantly improve the conductivity of the overall sulfur/MXenes hybrid electrode [37,38,50,51]. As illustrated in Fig.…”

Section: Mxenes For Electron Transportmentioning

confidence: 98%

“…Very recently, intensive researches have been conducted on MXenes-based sulfur cathodes [45][46][47][48][49][50][51][52][53][54]. In the review, we made a systematic summary of recent publications concentrating on the advance of MXenes for sulfur cathodes from the following prospectives: (1) physical interaction of MXenes on enhancement of sulfur cathodes; (2) MXenes for chemisorption of LiPSs on sulfur cathodes: functional groups or/and decorated active sites to anchor polysulfides and inhibit polysulfides shuttle; (3) MXenes for polysulfide conversion catalysis on sulfur cathodes: to improve catalytic kinetics on conversion of polysulfides to further enhance the rate capabilities.…”

Section: Introductionmentioning

confidence: 99%

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Harnessing the unique features of MXenes for sulfur cathodes

et al. 2020

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Lithium-sulfur (Li-S) battery, as an emerging rechargeable energy-storage system, sparks intensive research enthusiasm owing to its high theoretical energy density. However, the sulfur cathode undergoes the low coulombic efficiency, poor rate and cycling performance, caused by the polysulfides shuttle, low conductivity and sluggish redox kinetics. To address the above issues, various hybrid sulfur cathodes are developed based on two-dimensional (2D) materials. Recently, 2D transition metal carbides and nitrides (MXenes) are receiving intensive interest as matrix materials for sulfur cathodes owing to their favorable properties, such as superior electrical conductivity, abundant active sites and adjustable surface functional groups. In this review, we mainly summarize the development of novel hybrid sulfur cathodes by taking advantage of unique properties of MXenes. The different roles MXenes played in sulfur cathodes, including facilitating the electron transfer, tuning the adsorption of polysulfides and catalyzing polysulfides conversion, are well discussed. Finally, we propose the future strategies on the rational design of MXene-based sulfur cathodes with high performances.

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Section: Mxenes For Electron Transportmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Harnessing the unique features of MXenes for sulfur cathodes

et al. 2020

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“…Reproduced with permission. [ 109 ] Copyright 2019, Royal Society of Chemistry. d) Gibbs free energy profiles of single atom Zn‐implanted MXene (Zn–MXene) and MXene reacted with lithium polysulfides.…”

Section: Potential Of Mxenes For Lithium–sulfur Batteriesmentioning

confidence: 99%

mentioning

confidence: 99%

Status and Prospects of MXene‐Based Lithium–Sulfur Batteries

Zhao

Zhu

Liu

et al. 2021

Adv Funct Materials

169

126

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Lithium-sulfur (Li-S) batteries with a theoretical energy density of 2567 Wh kg −1 are very promising next-generation energy storage systems, but suffer from the insulativity of sulfur and Li 2 S, the shuttle effect due to the dissolution and migration of polysulfides, and the lithium dendrite issue. MXenes, a family of 2D transition metal carbides/nitrides, which have metallic conductivity, structural variety, strong chemical adsorption ability to polysulfides, effective catalytic effect for fast kinetics, and inducing effect for uniform growth of Li, exhibit promising potential for high-performance Li-S batteries. In this review, the recent progress and achievements of MXene-based Li-S batteries are summarized, including the use of MXenes in sulfur cathode, interlayer between cathode and separator, and Li anode. The architecture construction and chemical modification of MXenes, as well as hybridization with other materials are demonstrated. The enhancement on electrochemical performance and the related mechanisms of MXenes and MXene-based composites are discussed. Finally, challenges and perspectives of MXenes for Li-S battery application are also given.

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“…Apart from Ti‐based carbide MXenes, research on other MXenes was also carried out. [ 85,86 ] For instance, Li et al. thoroughly studied the interactions between LiPSs and Ti 2 CO 2 as well as six other MXenes (M 3 C 2 O 2 , where M = Cr, V, Ti, Nb, Hf, and Zr) host materials using DFT computations.…”

Section: Applications In Electrochemical Energy Storagementioning

confidence: 99%

MXenes for Rechargeable Batteries Beyond the Lithium‐Ion

et al. 2020

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past few decades. [2] In spite of the great success of the LIBs in consumer electronics and electric vehicles, their gridscale implementation is hindered by the limited lithium resources (only 20 ppm in the earth's crust) as well as the safety concerns. [3] In this regard, many other EES systems based on more abundant and less active elements, such as sodium (2.3%), potassium (2.1%), magnesium (2.3%), aluminum (8.2%), and zinc (75 ppm), have been developed and have already achieved significant progress. [1d,4] Historically, 2D layered materials have been employed as electrodes for batteries (e.g., graphite, [5] LiCoO 2 , [6] and TiS 2 [7]). Since the discovery of monolayer graphene in 2004, [8] more and more emerging 2D materials have quickly become popular electrode materials for various EES devices. This is not surprising given the unique structure and property of 2D materials. Their relatively large interlayer space allows fast ion (de)intercalation, whereas the highly anisotropic 2D structure enables fast charge transfer. Recently, a new class of 2D transition metal carbides, nitrides, and carbonitrides, known as MXenes, [9] was discovered and has attracted increasing research interest. Up to date, more than 30 MXenes have been successfully synthesized. [10] Similar to other 2D layered materials, MXenes also possess large/tunable interlayer spaces and high aspect ratios. In addition, MXenes show excellent hydrophilicity (contact angle is ≈21.5°-35°) [11] and extraordinary conductivity (e.g., ≈9880 S cm −1 for Ti 3 C 2 T x , 3250 ± 100 S cm −1 for V 2 CT x). [12] Further, MXenes are coupled with various terminations (e.g., OH, O, and F), which endow rich surface chemistries. These unique properties make them appealing in various applications, especially for energy storage devices such as batteries and supercapacitors. [1d,4i,13] We noted that there have already been several excellent reviews on the application of MXenes for energy storage and conversion, which cover a wide range of topics including for LIBs, supercapacitors, electrocatalysis, photocatalysis, electromagnetic interference, and so on. [10a,14] However, a more specific summary focuses on the rechargeable batteries is required and beneficial for the researchers working on nextgeneration batteries. Moreover, the study and investigation on MXenes for other EES systems beyond LIB are rapidly developing and have achieved great progress very recently. For example, great research efforts have been invested in exploring the application of MXenes in Li-sulfur batteries Research on next-generation battery technologies (beyond Li-ion batteries, or LIBs) has been accelerating over the past few years. A key challenge for these emerging batteries has been the lack of suitable electrode materials, which severely limits their further developments. MXenes, a new class of 2D transition metal carbides, carbonitrides, and nitrides, are proposed as electrode materials for these emerging batteries due to several desirable attributes. These attributes include large a...

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Lattice constant-dependent anchoring effect of MXenes for lithium–sulfur (Li–S) batteries: a DFT study

Abstract: A monotonical relationship between the binding energies and the lattice constants of M3C2O2 was identified, which indicated that M3C2O2 MXenes with a smaller lattice constant tends to exhibit a stronger anchoring effect.

Cited by 99 publications

References 50 publications

Harnessing the unique features of MXenes for sulfur cathodes

Harnessing the unique features of MXenes for sulfur cathodes

Status and Prospects of MXene‐Based Lithium–Sulfur Batteries

MXenes for Rechargeable Batteries Beyond the Lithium‐Ion

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