Effect of carbon content on the structure and electronic properties of silicon oxycarbide anodes for lithium-ion batteries: a first-principles study

2015 ◽  
Vol 3 (9) ◽  
pp. 5067-5071 ◽  
Author(s):  
Ningbo Liao ◽  
Beirong Zheng ◽  
Hongming Zhou ◽  
Wei Xue
Keyword(s):  
Carbon Content ◽  
Lithium Ion Batteries ◽  
Electronic Properties ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
Silicon Oxycarbide ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Insight Into

Silicon oxycarbide (SiCO) shows a three times larger lithium capacity than does graphite. This work provides an insight into the lithiation mechanism of SiCO as anode material for Li-ion batteries.

Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104597-104607 ◽  
Author(s):  
Monika Wilamowska-Zawlocka ◽  
Paweł Puczkarski ◽  
Zofia Grabowska ◽  
Jan Kaspar ◽  
Magdalena Graczyk-Zajac ◽  
...  
Keyword(s):  
Carbon Content ◽  
Lithium Ion Batteries ◽  
Storage Capacity ◽  
Lithium Ion ◽  
Silicon Oxycarbide ◽  
Synthesis And Characterization ◽  
Li Ion Batteries ◽  
Lithium Storage ◽  
Li Ion

We report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries.

C3N/phosphorene heterostructure: a promising anode material in lithium-ion batteries

2019 ◽  
Vol 7 (5) ◽  
pp. 2106-2113 ◽  
Author(s):  
Gen-Cai Guo ◽  
Ru-Zhi Wang ◽  
Bang-Ming Ming ◽  
Changhao Wang ◽  
Si-Wei Luo ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Electronic Properties ◽  
Anode Material ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Li Ion

C3N has attracted much attention as an anode material for lithium-ion (Li-ion) batteries, owing to its excellent mechanical and electronic properties.

First-principles study of borophene/phosphorene heterojunction as anode material for lithium-ion batteries

2021 ◽  
Author(s):  
Zhifang Yang ◽  
Wenliang li ◽  
Jingping Zhang
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Energy Barrier ◽  
Anode Materials ◽  
High Capacity ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Li Ion ◽  
The Individual

Abstract It is urgent to explore high-capacity and efficient anode materials for rechargeable lithium-ion batteries (LIB). For borophene and phosphorene, two configurations are considered to form a heterojunction: twist angles of 0º (I) and 90º (II). There is a less degree of mismatch and larger formation energy in the formation of a B/P heterojunction, implying that borophene and phosphorene form the stable heterojunction. The heterojunctions of these two configurations demonstrate good conductivity, and the electrons near the Fermi level are mainly provided by borophene. Very importantly, the low energy barrier for interlayer migration of Li is observed in configuration I (0.14eV) and II (0.06 eV), and the migration of Li on the borophene and phosphorene side of the heterojunction still maintains its original energy barrier in bare monolayer. Moreover, the two configurations show the theoretical capacity as high as 738.69 and 721.86 mA h g-1, respectively, which is comparable to bare phosphorene. Furthermore, compared with bare phosphorene, the average voltage is greatly reduced after the formation of heterojunction. Hence, the overall electrochemical properties of the B/P heterojunction have been enhanced by combining the advantages of the individual phosphorene and borophene monolayers, which guarantees the B/P heterojunction as a good candidate for the anode material used in Li-ion batteries.

TiO2(B)–CNT–graphene ternary composite anode material for lithium ion batteries

RSC Advances ◽  
2015 ◽  
Vol 5 (29) ◽  
pp. 22449-22454 ◽  
Author(s):  
Tao Shen ◽  
Xufeng Zhou ◽  
Hailiang Cao ◽  
Chao Zheng ◽  
Zhaoping Liu
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
Lithium Ion ◽  
Cycling Stability ◽  
Conductive Network ◽  
Rate Performance ◽  
Li Ion Batteries ◽  
Composite Anode ◽  
Ternary Composite ◽  
Li Ion

The TiO2(B)–CNT–graphene ternary composite, in which graphene and CNTs construct a highly efficient conductive network, exhibits excellent rate performance and cycling stability as an anode material for Li-ion batteries.

scholarly journals Flower-like carbon with embedded silicon nano particles as an anode material for Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (48) ◽  
pp. 30032-30037 ◽  
Author(s):  
Hui Zhang ◽  
Hui Xu ◽  
Hong Jin ◽  
Chao Li ◽  
Yu Bai ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
Lithium Ion ◽  
Carbon Composite ◽  
Nano Particles ◽  
Li Ion Batteries ◽  
Drying Method ◽  
3 Dimensional ◽  
Silicon Carbon ◽  
Li Ion

A novel 3-dimensional (3D) flower-like silicon/carbon composite was synthesized through spray drying method by using NaCl as the sacrificial reagent and was evaluated as an anode material for lithium ion batteries.

Additive-free thick graphene film as an anode material for flexible lithium-ion batteries

Nanoscale ◽  
2015 ◽  
Vol 7 (16) ◽  
pp. 7065-7071 ◽  
Author(s):  
Kuldeep Rana ◽  
Seong Dae Kim ◽  
Jong-Hyun Ahn
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
Graphene Film ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Flexible Electrodes ◽  
Simple Route ◽  
Conducting Networks ◽  
Li Ion

This work demonstrates a simple route to develop mechanically flexible electrodes for Li-ion batteries (LIBs) that are usable as lightweight effective conducting networks for both cathodes and anodes.

Novel hybrid Si nanocrystals embedded in a conductive SiOx@C matrix from one single precursor as a high performance anode material for lithium-ion batteries

2017 ◽  
Vol 5 (15) ◽  
pp. 7026-7034 ◽  
Author(s):  
Min Zhu ◽  
Jie Yang ◽  
Zhihao Yu ◽  
Haibiao Chen ◽  
Feng Pan
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
High Performance ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Si Nanocrystals ◽  
Single Precursor ◽  
Li Ion

A Si/SiOx@C nanocomposite was synthesized from a silicone precursor and used as an effective anode material for Li-ion batteries.

scholarly journals Comprehensive investigation of the lithium insertion mechanism of the Na2Ti6O13 anode material for Li-ion batteries

2018 ◽  
Vol 6 (2) ◽  
pp. 443-455 ◽  
Author(s):  
Alois Kuhn ◽  
Juan Carlos Pérez-Flores ◽  
Markus Hoelzel ◽  
Carsten Baehtz ◽  
Isabel Sobrados ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
Lithium Ion ◽  
Tunnel Structure ◽  
Lithium Insertion ◽  
Li Ion Batteries ◽  
Comprehensive Investigation ◽  
Lithium Insertion Mechanism ◽  
Insertion Mechanism ◽  
Li Ion

Sodium hexatitanate Na2Ti6O13 with a tunnel structure has been proposed to be an attractive anode material for lithium ion batteries because of its low insertion voltage, structural stability and good reversibility.

Metallic FeSe monolayer as an anode material for Li and non-Li ion batteries: a DFT study

2020 ◽  
Vol 22 (16) ◽  
pp. 8902-8912 ◽  
Author(s):  
Xiaodong Lv ◽  
Fengyu Li ◽  
Jian Gong ◽  
Jinxing Gu ◽  
Shiru Lin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electrochemical Performance ◽  
Lithium Ion Batteries ◽  
Anode Material ◽  
Density Functional ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Functional Theory ◽  
Li Ion ◽  
Density Functional Theory Computations

By means of density functional theory computations, we explored the electrochemical performance of an FeSe monolayer as an anode material for lithium and non-lithium ion batteries (LIBs and NLIBs).

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