<i>In situ</i>-grown tungsten carbide nanoparticles on nanocarbon as an electrocatalyst to promote the redox reaction kinetics of high-mass loading sulfur cathode for high volumetric performance

Zhang, Jing; Duan, Shaorong; Chen, You; Wang, Jian; Liu, Haitao; Guo, Shaohua; Zhang, Weihua; Yang, Rong

doi:10.1039/d0ta07464k

Cited by 21 publications

(21 citation statements)

References 49 publications

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“…Metal-based materials, such as metal nanoparticles (e.g., Pt, Au, Ni, and Sn), transition-metal carbides ( e.g ., Mo 2 C, Ti 3 C 2 MXene, and WC), − metal oxides ( e.g ., Al 2 O 3 , CaO, CeO 2 , Co 3 O 4 , Fe 3 O 4 , La 2 O 3 , MnO 2 , MoO 3 , TiO 2 , and V 2 O 5 ), ,− metal sulfides ( e.g ., CoS 2 , Fe 1– x S, MoS 2 , NiS 2 , NbS 2 , TiS 2 , VS 2 , and ZrS 2 ), ,− and metal organic frameworks, are promising electrocatalysts to improve the binding of LiPSs and kinetics of the LiPS redox process. Metal oxides, due to their inherent defects, , provide multiple active sites with strong Lewis acid–base interactions for binding and converting LiPSs but unfortunately exhibit poor electronic conductivity .…”

Section: Introductionmentioning

confidence: 99%

Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries

2021

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A major challenge toward the practical application of lithium–sulfur (Li–S) batteries is the lithium polysulphide (LiPS) shuttling, caused by the rapid LiPS migration in the electrolyte and slow reaction kinetics. Single-atom catalyst (SAC) materials hold the promise of strong LiPS binding to the cathode and improved reaction kinetics in Li–S batteries. In this study, we examine the electrocatalytic properties of four SAC materials with TM–N4–C (TM = Co, Fe, V, and W) formation, from simulations based on the density functional theory. We study for the first time a W-based SAC as the Li–S cathode host and calculate the adsorption energy of five LiPS intermediates (Li2S n , n = 1, 2, 4, 6, and 8). We explore the mechanism for the conversion of Li2S2 to Li2S and present the energy profiles based on the Gibbs free energy for the LiPS reaction pathway from S8 to Li2S. V- and W-based SACs provide high LiPS binding, of up to 6.0 times of pristine graphene, and largely improved reaction kinetics by lowering the S dissociation barrier of the Li2S2 decomposition by ∼2.5 times compared to pristine graphene. Our work provides a detailed investigation into the adsorption and conversion of LiPSs on SAC cathode hosts, highlighting their potential on improving the electrochemical performance of Li–S batteries and mitigating the LiPS “shuttle” effect.

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Section: Introductionmentioning

confidence: 99%

Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries

2021

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“…The peaks in the high‐resolution C 1s spectrum located at 284.7, 286.0, and 288.9 eV are assigned to C—C, C—N, and C—O species, respectively (Figure 3C ). [ 20 ] The existence of C—Ce (284.1 eV) bond is supposed to the formation of heterojunction interfaces between the HINC and SDMECO, which significantly enhances the physical electronic contact and promotes catalytic activity through speeding up the charge transfer for fast lithium plating. At the same time, in the high‐resolution O 1s spectra in Figure 3D , two peaks at 531.5 ( I L ) and 533.2 eV ( I D ) are attributed to the contributions from lattice oxygen and defective oxygen in the metal oxide, [ 13a ] respectively.…”

Section: Resultsmentioning

confidence: 99%

Tuning 4f‐Center Electron Structure by Schottky Defects for Catalyzing Li Diffusion to Achieve Long‐Term Dendrite‐Free Lithium Metal Battery

Zhang

Zhuang

et al. 2022

Advanced Science

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Lithium metal is considered as the most prospective electrode for next‐generation energy storage systems due to high capacity and the lowest potential. However, uncontrollable spatial growth of lithium dendrites and the crack of solid electrolyte interphase still hinder its application. Herein, Schottky defects are motivated to tune the 4f‐center electronic structures of catalysts to provide active sites to accelerate Li transport kinetics. As experimentally and theoretically confirmed, the electronic density is redistributed and affected by the Schottky defects, offering numerous active catalytic centers with stronger ion diffusion capability to guide the horizontal lithium deposition against dendrite growth. Consequently, the Li electrode with artificial electronic‐modulation layer remarkably decreases the barriers of desolvation, nucleation, and diffusion, extends the dendrite‐free plating lifespan up to 1200 h, and improves reversible Coulombic efficiency. With a simultaneous catalytic effect on the conversions of sulfur species at the cathodic side, the integrated Li–S full battery exhibits superior rate performance of 653 mA h g −1 at 5 C, high long‐life capacity retention of 81.4% at 3 C, and a high energy density of 2264 W h kg −1 based on sulfur in a pouch cell, showing the promising potential toward high‐safety and long‐cycling lithium metal batteries.

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“…To develop a nanocatalyst with abundant active sites is requisite for the pursuit of high‐energy density batteries, our group in situ synthesized the ultra‐small tungsten carbide nanoparticles with a high specific catalytic activity relying on the tight interfacial adhesion to avoid large aggregation. [ 38 ]…”

Section: Common Adsorption‐catalysis Strategies Toward Polysulfide In...mentioning

confidence: 99%

Electrochemical Kinetic Modulators in Lithium–Sulfur Batteries: From Defect‐Rich Catalysts to Single Atomic Catalysts

Zhang

Chen

Lin

et al. 2022

Energy & Environ Materials

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103

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Lithium-sulfur batteries exhibit unparalleled merits in theoretical energy density (2600 W h kg −1 ) among next-generation storage systems. However, the sluggish electrochemical kinetics of sulfur reduction reactions, sulfide oxidation reactions in the sulfur cathode, and the lithium dendrite growth resulted from uncontrollable lithium behaviors in lithium anode have inhibited high-rate conversions and uniform deposition to achieve high performances. Thanks to the "adsorption-catalysis" synergetic effects, the reaction kinetics of sulfur reduction reactions/sulfide oxidation reactions composed of the delithiation of Li 2 S and the interconversions of sulfur species are propelled by lowering the delithiation/diffusion energy barriers, inhibiting polysulfide shuttling. Meanwhile, the anodic plating kinetic behaviors modulated by the catalysts tend to uniformize without dendrite growth. In this review, the various active catalysts in modulating lithium behaviors are summarized, especially for the defect-rich catalysts and single atomic catalysts. The working mechanisms of these highly active catalysts revealed from theoretical simulation to in situ/operando characterizations are also highlighted. Furthermore, the opportunities of future higher performance enhancement to realize practical applications of lithium-sulfur batteries are prospected, shedding light on the future practical development.

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In situ-grown tungsten carbide nanoparticles on nanocarbon as an electrocatalyst to promote the redox reaction kinetics of high-mass loading sulfur cathode for high volumetric performance

Abstract: The volumetric energy density of the lithium-sulfur (Li-S) batteries shows particular importance to accommodate the ever-shrinking space of practical devices. A feasible path for improving volumetric energy density of the...

Cited by 21 publications

References 49 publications

Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries

Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries

Tuning 4f‐Center Electron Structure by Schottky Defects for Catalyzing Li Diffusion to Achieve Long‐Term Dendrite‐Free Lithium Metal Battery

Electrochemical Kinetic Modulators in Lithium–Sulfur Batteries: From Defect‐Rich Catalysts to Single Atomic Catalysts

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