Effect of electric field on lithium ion in silicene channel. Computer experiment

Галашев, А. Е.; Zaikov, Yu. P.; Vladykin, R. G.

doi:10.1134/s1023193516100049

Cited by 29 publications

(32 citation statements)

References 32 publications

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“…[13] It should be noted that for a constant electric field with an intensity of 10 3 V/m, the lithium ion completely passes flat graphene channels with a gap of 0.60 and 0.65 nm and a length of~4 nm. [13] It should be noted that for a constant electric field with an intensity of 10 3 V/m, the lithium ion completely passes flat graphene channels with a gap of 0.60 and 0.65 nm and a length of~4 nm.…”

Section: Methodsmentioning

confidence: 99%

“…[13] It should be noted that for a constant electric field with an intensity of 10 3 V/m, the lithium ion completely passes flat graphene channels with a gap of 0.60 and 0.65 nm and a length of~4 nm. [13][14][15] The lithium ion migrates along such a channel and at an electric field strength of 10 3 V/m, but it cannot overcome the energy barrier to exit the channel in this case. [13][14][15] The lithium ion migrates along such a channel and at an electric field strength of 10 3 V/m, but it cannot overcome the energy barrier to exit the channel in this case.…”

Section: Methodsmentioning

confidence: 99%

“…The interaction between Si belonging to different sheets of silicene is described by Morse potential. [13] The results of the molecular dynamics simulation performed with the selected potentials indicate the adequacy of the model used. [27][28][29] Parameters of the Morse potentials under consideration are listed in Table 1.…”

Section: Methodsmentioning

confidence: 99%

“…[26] The LiÀ Li, LiÀ Si, LiÀ Al, and SiÀ Al interactions were presented by Morse potential too. [13][14][15] The height of the silicene buckle Dh and the Si À Si bond-length � L can vary for various reasons. The aluminum substrate was formed by four (111) planes of the corresponding crystal and contained 1120 atoms (4 layers of atoms).…”

Section: Methodsmentioning

confidence: 99%

“…[13] Perfect silicene sheet had a size of 4.8 × 4.1 nm (taking into account the size of Si atoms) and contained 300 atoms. It was previously determined that for such a gap size a single Li + ion can be in a silicene channel during 100 ps in the presence of an electric field of 10 3 V/m.…”

Section: Methodsmentioning

confidence: 99%

See 4 more Smart Citations

Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

Галашев

Ivanichkina

2019

ChemElectroChem

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The main requirements for lithium-ion batteries (LIB) of the new generation are low cost, safety, short charge time, high energy and power. This article is devoted to the testing of a new anode design, which is based on the use of silicene on an Al(111) substrate. The processes of intercalation and deintercalation of lithium in a channel formed by silicene sheets in the presence of an electric field are investigated. Sheets of perfect silicene and silicene with vacancy defects are used. The largest number of Li ions is intercalated into the channel with bivacancies. The lithium density profiles in the channels, the diffusion coeffi-cients of lithium atoms, their energy, the angular distributions of the nearest neighbors, and the distributions of the most significant stresses in the silicene sheets are determined. On average, a silicene channel with vacancy-type defects on the Al (111) substrate is characterized by a lower charge capacity and lower stresses in silicene than a corresponding channel on an Ag(111) substrate. We expect that this article will contribute to the further selection of the substrate material for the LIB silicene anode.

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Section: Methodsmentioning

confidence: 99%

“…[13] It should be noted that for a constant electric field with an intensity of 10 3 V/m, the lithium ion completely passes flat graphene channels with a gap of 0.60 and 0.65 nm and a length of~4 nm. [13][14][15] The lithium ion migrates along such a channel and at an electric field strength of 10 3 V/m, but it cannot overcome the energy barrier to exit the channel in this case. [13][14][15] The lithium ion migrates along such a channel and at an electric field strength of 10 3 V/m, but it cannot overcome the energy barrier to exit the channel in this case.…”

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 3 more Smart Citations

Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

Галашев

Ivanichkina

2019

ChemElectroChem

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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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Physical properties of silicene electrodes for Li-, Na-, Mg-, and K-ion batteries

Галашев

Vorob’ev

2018

J Solid State Electrochem

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Effect of electric field on lithium ion in silicene channel. Computer experiment

Cited by 29 publications

References 32 publications

Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

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

Physical properties of silicene electrodes for Li-, Na-, Mg-, and K-ion batteries

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