Strain enhanced lithium adsorption and diffusion on silicene

Wang, Xiao; Luo, Yuxiang; Yan, Ting; Cao, Wei; Zhang, Meng

doi:10.1039/c6cp07702a

Cited by 35 publications

(30 citation statements)

References 33 publications

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“…In 2014, Li et al, for the first time, obtained black phosphorous (BP) nanosheets with few layers (≈10 nm) for application in transistors by means of mechanical exfoliation. [42] This black phosphorus devices exhibit excellent electronic properties, including hole mobility of ≈1000 cm V −1 s −1 and on/off ratio of 10 5 , which has been arousing great research interest of scientists. However, scotch tape is applied to the 2D materials directly onto the substrate such as SiO 2 /Si, glass or Ai 2 O 3 , the composition of the tape remains and the quality of the sample is affected.…”

Section: Mechanical Exfoliationmentioning

confidence: 99%

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

Wang

Kou

et al. 2020

Adv Funct Materials

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As an emerging subclass of 2D materials, Xenes (e.g., borophene, silicene, germanene, stanene, phosphorene, arsenene, antimonene, and bismuthene) consist of one single element and have opened the door for various important applications. Benefiting from their impressive characteristics, including ultrathin folded structure, ultrahigh surface–volume ratio, excellent mechanical strength and flexibility, Xenes are considered as promising electrode materials in the field of electrochemical energy with large capacity, high rate, and high safety. This review provides a comprehensive summary of selected properties, synthetic challenges, and the latest theoretical and experimental advances in the energy‐related applications of Xenes, including Li/Na ion batteries, Li–S batteries, electrocatalysis, and supercapacitors. Finally, the challenges and outlook of this emerging field are discussed.

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Section: Mechanical Exfoliationmentioning

confidence: 99%

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

Wang

Kou

et al. 2020

Adv Funct Materials

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“…(c) Diffusion energy profile of lithium ions transporting through an individual unstrained silicene sheet (the diffusion path is shown in the inset). [96] Reproduced with permission from Ref. [96].…”

Section: Strain and Stressmentioning

confidence: 99%

Recent Developments of Nanomaterials and Nanostructures for High‐Rate Lithium Ion Batteries

Zhou

et al. 2020

ChemSusChem

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techniques, based on either electrochemical or radiology methodologies, are covered as well. In addition, state-of-the-art research findings are provided to illustrate the effect of nanomaterials and nanostructures in promoting the rate performance of lithium ion batteries. Finally, several challenges and shortcomings of applying nanotechnology in fabricating highrate lithium ion batteries are summarised.

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“…In the case of Li adsorption on perfect silicene, a hollow site with one Li ion is the lowest energy configuration with adsorption energy of −2.41 eV according to our previous study. [21] The metal adatom drift over to an H site when placed above a B site.…”

Section: Adsorption Of LI On Silicene Monolayer With Gbsmentioning

confidence: 99%

“…[19,20] Moreover, silicene is exempt from irreversible structural changes during lithiation/delithiation processes in comparison with crystalline silicon. [21] Thus, silicene may act as an alternative of graphene on the LIB electrodes.…”

mentioning

confidence: 99%

First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries

Wang

Liu

Huttula

et al. 2019

Int J of Quantum Chemistry

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As a close relative to graphene, silicene is advanced in high lithium capacity, yet attracting various manipulation strategies to promote its role in energy storage. Following grain boundary (GB) engineering route as widely used in graphene studies, in this work, first-principles calculations were performed to investigate adsorption and diffusion behaviors of lithium on silicene with GBs of 4j8 or 5j5j8 defects. In both GB forms, donation of the Li 2s electron to the GBs significantly increases the Li adsorption energy, whereas small energy barriers facilitate the Li migration on the silicene surface. Furthermore, the large hole of GB(4-8) also permits easy penetration of the Li ions through the defective silicene sieve. These important features demonstrate GBs are beneficial for enhancing capacity and charge speed of the Li batteries.Thus, superior anodes made of silicene with GBs are expected to serve a key solution for future energy storages. K E Y W O R D S first-principles simulations, grain boundary, lithium adsorption and diffusion, silicene 1 | INTRODUCTION The rechargeable lithium ion batteries (LIBs) are the predominant energy reservoirs in electric vehicles and portable electronics.However, future batteries require smaller LIB dimensions, lighter weights, along with higher energy densities. To meet these stringent requirements, extensive researches have been emphasized on explorations of the advanced electrode materials which can provide high charge capacity, long cyclic stability, high-rate capability, and safety. [1][2][3] Graphene and oxidized graphene have been found with higher capacities of 600 to 1000 mAh/g [4,5] than the bulk counterpart of graphite (372 mAh/g). [6] In analogy to these organic monolayers, other two-dimensional (2D) materials were also studied and considered as important candidates for the LIBs anodes. So far, explorations have been searched within naturally occurring species as graphdiyne, [7] molybdenum disulfide (MoS 2 ), [8] boron carbon nitride nanosheets, [9] and so on.The synthetic monolayers may also act as anode materials for Li storage. Recently, silicene, the silicon monolayer, has been synthesized on various metal substrates such as Ag, Ir, and ZrB 2 . [10][11][12][13] Preliminary results have shown that high Li capacity is feasible on nanostructured silicon (eg, silicon nanowires, [14,15] nanoparticles [16] ) but with small volume deformations of the matrices. Thus, silicene is also expected to be a good candidate for LIB electrodes because of its nature of low-dimensional silicon and structural similarity to graphene. In fact, theoretical studies have indicated that the binding energy between Li and silicene is 2.2 eV per Li atom and the barriers for Li diffusion are less than 0.6 eV, [17,18] much

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Strain enhanced lithium adsorption and diffusion on silicene

Cited by 35 publications

References 33 publications

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

Recent Developments of Nanomaterials and Nanostructures for High‐Rate Lithium Ion Batteries

First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries

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