First principles study on silicon nanostructures as potential anode materials for Li-ion batteries

Kulish, Vladimir

doi:10.32657/10356/53734

Cited by 2 publications

(2 citation statements)

References 191 publications

(275 reference statements)

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“…[3][4][5][6] These MXenes are good electrical conductors with high elastic moduli. [7][8][9][10] The rich chemistries and unique morphologies render MXenes versatile for sensors, 11 energy storage, 12,13 catalysis, 14,15 and water purification. 16 In particular, the layered structures of MXenes allow the storage and rapid transport of ions, and hence are widely exploited for electrodes of supercapacitors 13 and metal-ion batteries.…”

Section: Introductionmentioning

confidence: 99%

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

et al. 2018

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MXenes with versatile chemistry and superior electrical conductivity are prevalent candidate materials for energy storage and catalysts. Inspired by recent experiments of hybridizing MXenes with carbon materials, here we theoretically design a series of heterostructures of N-doped graphene supported by MXene monolayers as bifunctional electrocatalysts for the oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER). Our first-principles calculations show that the graphitic sheet on V2C and Mo2C MXenes are highly active with an ORR overpotential down to 0.36 V and reaction free energies for the HER approaching zero, both with low kinetic barriers. Such outstanding catalytic activities originate from the electronic coupling between the graphitic sheet and the MXene, and can be correlated with the pz band center of surface carbon atoms and the work function of the heterostructures. Our findings screen a novel form of highly active electrocatalysts by taking advantage of the fast charge transfer kinetics and strong interfacial coupling of MXenes, and illuminate a universal mechanism for modulating the catalytic properties of two-dimensional hybrid materials.

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Section: Introductionmentioning

confidence: 99%

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

et al. 2018

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“…Borysiuk et al used molecular dynamic simulations demonstrating that titanium carbides are stiffer and stronger than MoS 2 , a little weaker than graphene. [37] The preparation of 2D MXene nanosheets associates with etching of A atoms and delamination of multi-layer to few layers even single layer. The etching and delamination processes can be carried out separately or simultaneously, as illustrated in Figure 1a.…”

Section: Preparation and Properties Of Mxenesmentioning

confidence: 99%

Nanoengineering of 2D MXene‐Based Materials for Energy Storage Applications

Nan

Guo

Xiao

et al. 2019

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2D MXene‐based nanomaterials have attracted tremendous attention because of their unique physical/chemical properties and wide range of applications in energy storage, catalysis, electronics, optoelectronics, and photonics. However, MXenes and their derivatives have many inherent limitations in terms of energy storage applications. In order to further improve their performance for practical application, the nanoengineering of these 2D materials is extensively investigated. In this Review, the latest research and progress on 2D MXene‐based nanostructures is introduced and discussed, focusing on their preparation methods, properties, and applications for energy storage such as lithium‐ion batteries, sodium‐ion batteries, lithium–sulfur batteries, and supercapacitors. Finally, the critical challenges and perspectives required to be addressed for the future development of these 2D MXene‐based materials for energy storage applications are presented.

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First principles study on silicon nanostructures as potential anode materials for Li-ion batteries

Cited by 2 publications

References 191 publications

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

Nanoengineering of 2D MXene‐Based Materials for Energy Storage Applications

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