The first-principles study on the performance of the graphene/WS2 heterostructure as an anode material of Li-ion battery

Zhang, Mengzhi; Tang, Chunmei; Wang, Cheng; Fu, Ling

doi:10.1016/j.jallcom.2020.157432

Cited by 44 publications

(28 citation statements)

References 104 publications

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“…However, the energy barriers of Li diffusion are still lower than that of some other TMDs heterostructure materials (0.47 eV for MoS 2 /Ti 2 CF 2 and 0.57 eV for MoS 2 /Ti 2 CO 2 ). [66][67][68] The calculation results of the migration barrier indicate that the diffusion processes on SnSSe/G heterostructures are energetically favorable, indicating that SnSSe/G heterostructures can be used as reliable LIBs electrodes.…”

Section: Calculation Methodsmentioning

confidence: 98%

Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li‐ion batteries

Zhang

Cheng

et al. 2021

Intl J of Energy Research

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Developing efficient anode materials for Li-ion batteries is becoming increasingly important but is still challenging to collect relevant information about their adsorption and diffusion. Herein, by means of density functional theory (DFT) computations, the Janus SnSSe, and graphene van der Waals heterostructures (ie, SSnSe/G and SeSnS/G) are systematically investigated by first principles calculations, aiming at constructing promising anode materials for Li-ion batteries (LIBs). The results have demonstrated that the SnSSe/G heterostructures exhibits a semimetal-to-metal transition after incorporating Li, indicating enhanced conductivity compared to monolayer Janus SnSSe or graphene. Moreover, the SnSSe/G heterostructures can maintain favorable structural stability and ultrahigh stiffness well after applying the strain or adsorption of lithium atoms, thereby ensuring the pulverization resistance. In addition, the energy barriers of Li atoms diffusion are very low, which are expected to achieve a fast charge/discharge rate. Meanwhile, the estimated storage capacity of Li on SnSSe/G heterostructures could achieve 472.66 mA h g −1 , which greatly improves the storage capacity. These interesting results show that Janus SnSSe/G heterostructures could be used as excellent anode materials for LIBs.

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Section: Calculation Methodsmentioning

confidence: 98%

Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li‐ion batteries

Zhang

Cheng

et al. 2021

Intl J of Energy Research

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“…Various [102], and WS 2 heterostructures [103] have been developed and doped with carbonaceous materials (carbon agents, carbon nanotubes, and graphene oxide, among other). This carbonaceous doping has the objective of increasing the electrical conductivity and, consequently, the electrochemical properties through conductive pathways to facilitate charge transport and structural buffer space to accommodate volume variations.…”

Section: Conversion-type Transition-metals and Their Composites-based Anode Active Materialsmentioning

confidence: 99%

Recent Advances on Materials for Lithium-Ion Batteries

et al. 2021

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Environmental issues related to energy consumption are mainly associated with the strong dependence on fossil fuels. To solve these issues, renewable energy sources systems have been developed as well as advanced energy storage systems. Batteries are the main storage system related to mobility, and they are applied in devices such as laptops, cell phones, and electric vehicles. Lithium-ion batteries (LIBs) are the most used battery system based on their high specific capacity, long cycle life, and no memory effects. This rapidly evolving field urges for a systematic comparative compilation of the most recent developments on battery technology in order to keep up with the growing number of materials, strategies, and battery performance data, allowing the design of future developments in the field. Thus, this review focuses on the different materials recently developed for the different battery components—anode, cathode, and separator/electrolyte—in order to further improve LIB systems. Moreover, solid polymer electrolytes (SPE) for LIBs are also highlighted. Together with the study of new advanced materials, materials modification by doping or synthesis, the combination of different materials, fillers addition, size manipulation, or the use of high ionic conductor materials are also presented as effective methods to enhance the electrochemical properties of LIBs. Finally, it is also shown that the development of advanced materials is not only focused on improving efficiency but also on the application of more environmentally friendly materials.

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“…Although significant research has investigated WS 2 as a potential lithium-ion storage application, the application of WS 2 in NIBs and KIBs is somewhat limited. Unique, distinctively tailored nanostructures of WS 2 , such as nanoflakes, nanosheets, nanowires, and nanoflowers, have also been studied to determine if they enhance the performances of NIBs [ 9 , 10 , 11 , 12 , 13 , 14 ]. Still, these require extensive conditions to fabricate such structures.…”

Section: Introductionmentioning

confidence: 99%

WS2 Nanosheet Loaded Silicon-Oxycarbide Electrode for Sodium and Potassium Batteries

Dey

Singh

2022

Nanomaterials

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Transition metal dichalcogenides (TMDs) such as the WS2 have been widely studied as potential electrode materials for lithium-ion batteries (LIB) owing to TMDs’ layered morphology and reversible conversion reaction with the alkali metals between 0 to 2 V (v/s Li/Li+) potentials. However, works involving TMD materials as electrodes for sodium- (NIBs) and potassium-ion batteries (KIBs) are relatively few, mainly due to poor electrode performance arising from significant volume changes and pulverization by the larger size alkali-metal ions. Here, we show that Na+ and K+ cyclability in WS2 TMD is improved by introducing WS2 nanosheets in a chemically and mechanically robust matrix comprising precursor-derived ceramic (PDC) silicon oxycarbide (SiOC) material. The WS2/SiOC composite in fibermat morphology was achieved via electrospinning followed by thermolysis of a polymer solution consisting of a polysiloxane (precursor to SiOC) dispersed with exfoliated WS2 nanosheets. The composite electrode was successfully tested in Na-ion and K-ion half-cells as a working electrode, which rendered the first cycle charge capacity of 474.88 mAh g−1 and 218.91 mAh g−1, respectively. The synergistic effect of the composite electrode leads to higher capacity and improved coulombic efficiency compared to the neat WS2 and neat SiOC materials in these cells.

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The first-principles study on the performance of the graphene/WS2 heterostructure as an anode material of Li-ion battery

Cited by 44 publications

References 104 publications

Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li‐ion batteries

Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li‐ion batteries

Recent Advances on Materials for Lithium-Ion Batteries

WS2 Nanosheet Loaded Silicon-Oxycarbide Electrode for Sodium and Potassium Batteries

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