scholarly journals An Ab Initio Study of Lithization of Two-Dimensional Silicon–Carbon Anode Material for Lithium-Ion Batteries

Materials ◽  
2021 ◽  
Vol 14 (21) ◽  
pp. 6649
Author(s):  
Alexander Galashev ◽  
Alexey Vorob'ev
Keyword(s):  
First Principles ◽  
Lithium Ion ◽  
Carbon Anode ◽  
Carbon Substrate ◽  
Ab Initio Study ◽  
Free Standing ◽  
Layer Graphene ◽  
Silicon Carbon ◽  
The Stability ◽  
Conductive Properties

This work is devoted to a first-principles study of changes in the structural, energetic, and electronic properties of silicene anodes during their lithium filling. Anodes were presented by silicene on carbon substrate and free-standing silicene. The ratio of the amount of lithium to silicon varied in the range from 0.06 to 1.125 for silicene on bilayer graphene and from 0.06 to 2.375 for free-standing silicene. It is shown that the carbon substrate reduces the stability of the silicene sheet. Silicene begins to degrade when the ratio of lithium to silicon (NLi/NSi) exceeds ~0.87, and at NLi/NSi = 0.938, lithium penetrates into the space between the silicene sheet and the carbon substrate. At certain values of the Li/Si ratio in the silicene sheet, five- and seven-membered rings of Si atoms can be formed on the carbon substrate. The presence of two-layer graphene imparts conductive properties to the anode. These properties can periodically disappear during the adsorption of lithium in the absence of a carbon substrate. Free-standing silicene adsorbed by lithium loses its stability at NLi/NSi = 1.375.

Hollow-structure engineering of a silicon–carbon anode for ultra-stable lithium-ion batteries

2020 ◽  
Vol 49 (17) ◽  
pp. 5669-5676 ◽  
Author(s):  
Hongbin Liu ◽  
Yun Chen ◽  
Bo Jiang ◽  
Yue Zhao ◽  
Xiaolin Guo ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Hollow Structure ◽  
Lithium Ion ◽  
Carbon Anode ◽  
Carbon Substrate ◽  
Silicon Nanotubes ◽  
Silicon Carbon ◽  
Stable Performance ◽  
Structure Engineering

Hollow silicon nanotubes were successfully synthesized in situ on a carbon substrate, which effectively accommodate the volume expansion of silicon and exhibit ultra-stable performance as the anode of lithium-ion batteries.

scholarly journals Solutions for the problems of silicon–carbon anode materials for lithium-ion batteries

2018 ◽  
Vol 5 (6) ◽  
pp. 172370 ◽  
Author(s):  
Xuyan Liu ◽  
Xinjie Zhu ◽  
Deng Pan
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Materials ◽  
High Capacity ◽  
Lithium Ion ◽  
Cycling Performance ◽  
Carbon Anode ◽  
Environmental Friendliness ◽  
Silicon Carbon ◽  
New Energy ◽  
Carbon Anodes

Lithium-ion batteries are widely used in various industries, such as portable electronic devices, mobile phones, new energy car batteries, etc., and show great potential for more demanding applications like electric vehicles. Among advanced anode materials applied to lithium-ion batteries, silicon–carbon anodes have been explored extensively due to their high capacity, good operation potential, environmental friendliness and high abundance. Silicon–carbon anodes have demonstrated great potential as an anode material for lithium-ion batteries because they have perfectly improved the problems that existed in silicon anodes, such as the particle pulverization, shedding and failures of electrochemical performance during lithiation and delithiation. However, there are still some problems, such as low first discharge efficiency, poor conductivity and poor cycling performance, which need to be improved. This paper mainly presents some methods for solving the existing problems of silicon–carbon anode materials through different perspectives.

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

2016 ◽  
Vol 18 (12) ◽  
pp. 8643-8653 ◽  
Author(s):  
Yukihiro Okuno ◽  
Keisuke Ushirogata ◽  
Keitaro Sodeyama ◽  
Yoshitaka Tateyama
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Electrolyte Solution ◽  
Lithium Fluoride ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Ab Initio Study ◽  
Fluoroethylene Carbonate ◽  
The Stability ◽  
Fluoroethylene Carbonate Additive

Additives in the electrolyte solution of lithium-ion batteries (LIBs) have a large impact on the performance of the solid electrolyte interphase (SEI) that forms on the anode and is a key to the stability and durability of LIBs.

Nanofibrous silicon/carbon composite sheet derived from cellulose substance as free-standing lithium-ion battery anodes

RSC Advances ◽  
2014 ◽  
Vol 4 (64) ◽  
pp. 33981-33985 ◽  
Author(s):  
Mengya Wang ◽  
Dongling Jia ◽  
Jiao Li ◽  
Jianguo Huang
Keyword(s):  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Carbon Composite ◽  
Electrochemical Performances ◽  
Li Ion Battery ◽  
Composite Sheet ◽  
Free Standing ◽  
Silicon Carbon ◽  
Supporting Anode ◽  
Li Ion

A bio-inspired nanofibrous Si/C composite sheet was fabricated and employed as self-supporting anode for Li-ion battery showing good electrochemical performances.

Preparation of High Performance Silicon/Carbon Anode Materials for Lithium Ion Battery by High Energy Ball Milling

2012 ◽  
Vol 602-604 ◽  
pp. 1050-1053
Author(s):  
Ling Long Kong ◽  
Jie Zhao ◽  
Zhi Yuan Wang ◽  
Lei Li ◽  
Ning Xu ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Ball Milling ◽  
Anode Materials ◽  
High Capacity ◽  
Lithium Ion ◽  
High Energy ◽  
High Energy Ball Milling ◽  
Carbon Anode ◽  
Silicon Carbon ◽  
Energy Ball

Silicon/carbon anode materials of different proportions for lithium ion battery were prepared by high energy ball milling. The composites were characterized using X-ray diffraction (XRD), and scanning electron microscope (SEM). The electrochemical performance of the composites was tested by means of galvanostatic testing system. The results indicated that the initial reversible capacity reached to 2162 mAh•g-1, which was much larger than the theoretical capacity of carbon negative materials at the ratio of 6:4 (Si: C). The capacity maintained to 1042 mAh•g-1 after 50 cycles. High capacity and good cycle property of the Si/C composites revealed that they were potential to take the place of the traditional carbon anode materials.

The stability of free-standing germanane in oxygen: First-principles investigation

2015 ◽  
Vol 110 (1) ◽  
pp. 17007 ◽  
Author(s):  
G. Liu ◽  
S. B. Liu ◽  
B. Xu ◽  
C. Y. Ouyang ◽  
L. X. Li ◽  
...  
Keyword(s):  
First Principles ◽  
Free Standing ◽  
The Stability
Sign in / Sign up

Export Citation Format

Share Document