Penta-BCN monolayer with high specific capacity and mobility as a compelling anode material for rechargeable batteries

2021 ◽  
Author(s):  
Lei Chen ◽  
Yang MinRui ◽  
Kong Fan ◽  
Wenling Du ◽  
Jiyuan Guo ◽  
...  
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Metal Ion ◽  
Electrode Materials ◽  
Specific Capacity ◽  
High Capacity ◽  
Rechargeable Batteries ◽  
First Principles Calculations ◽  
High Specific Capacity ◽  
Increasing Demand

With the increasing demand for sustainable and clean energies, seeking high-capacity density electrode materials applied in the rechargeable metal-ion batteries is urgent. In this work, using first-principles calculations, we evaluate...

High specific capacity and excellent stability of interface-controlled MWCNT based anodes in lithium ion battery

2011 ◽  
Vol 1313 ◽  
Author(s):  
Indranil Lahiri ◽  
Sung-Woo Oh ◽  
Yang-Kook Sun ◽  
Wonbong Choi
Keyword(s):  
Electrode Materials ◽  
Specific Capacity ◽  
High Energy ◽  
Rechargeable Batteries ◽  
Operating Voltage ◽  
Li Ion Batteries ◽  
High Specific Capacity ◽  
Capacity Degradation ◽  
Li Ion ◽  
Very High

ABSTRACTRechargeable batteries are in high demand for future hybrid vehicles and electronic devices markets. Among various kinds of rechargeable batteries, Li-ion batteries are most popular for their obvious advantages of high energy and power density, ability to offer higher operating voltage, absence of memory effect, operation over a wider temperature range and showing a low self-discharge rate. Researchers have shown great deal of interest in developing new, improved electrode materials for Li-ion batteries leading to higher specific capacity, longer cycle life and extra safety. In the present study, we have shown that an anode prepared from interface-controlled multiwall carbon nanotubes (MWCNT), directly grown on copper current collectors, may be the best suitable anode for a Li-ion battery. The newly developed anode structure has shown very high specific capacity (almost 2.5 times as that of graphite), excellent rate capability, nil capacity degradation in long-cycle operation and introduced a higher level of safety by avoiding organic binders. Enhanced properties of the anode were well supported by the structural characterization and can be related to very high Li-ion intercalation on the walls of CNTs, as observed in HRTEM. This newly developed CNT-based anode structure is expected to offer appreciable advancement in performance of future Li-ion batteries.

scholarly journals The Evaluation of Mg-Ga Compounds as Electrode Materials for Mg-Ion Batteries via Ab Initio Simulation

2021 ◽  
Author(s):  
Chao Song ◽  
Yuan Yuan ◽  
Dachong Gu ◽  
Tao Chen ◽  
Yuping Liu ◽  
...  
Keyword(s):  
First Principles ◽  
Anode Materials ◽  
Electrode Materials ◽  
High Capacity ◽  
Structure Evolution ◽  
Kinetic Properties ◽  
First Principles Calculations ◽  
Alloy Type ◽  
Magnesium Ion Batteries ◽  
Fast Ion

Abstract The Mg-Ga alloy-type electrode is one of the potential anode materials for Magnesium-ion batteries (MIBs). In this work, the thermodynamic, electrochemical and kinetic properties of Mg-Ga compounds, i.e. Mg2Ga5, MgGa2, MgGa, Mg2Ga and Mg5Ga2, have been systematically studied. Combining the first-principles calculations and charge-discharge experimental results, the structure evolution and voltage curves of Mg-Ga compounds are presented, where the Mg-Ga compounds show low voltages and high capacity up to 1922 mAh·g-1 with Mg5Ga2. Additionally, the diffusion barriers of Mg in Mg-Ga alloys are low, which is favorable for the fast ion-transmission and then good rate performance as anodes of MIBs.

A first-principles investigation of the ScO2 monolayer as the cathode material for alkali metal-ion batteries

2018 ◽  
Vol 6 (7) ◽  
pp. 3171-3180 ◽  
Author(s):  
Zhixiao Liu ◽  
Huiqiu Deng ◽  
Shiguo Zhang ◽  
Wangyu Hu ◽  
Fei Gao
Keyword(s):  
Energy Density ◽  
Alkali Metal ◽  
Cathode Material ◽  
First Principles ◽  
Metal Ion ◽  
Specific Capacity ◽  
High Specific Capacity ◽  
Alkali Metal Ion

The ScO2 monolayer as the cathode material can deliver high specific capacity, voltage and energy density.

Fast charging with high capacity for aluminum rechargeable batteries using organic additive in an ionic liquid electrolyte

2020 ◽  
Vol 22 (47) ◽  
pp. 27525-27528
Author(s):  
Yeseul Park ◽  
Danbi Lee ◽  
Jongmin Kim ◽  
Gibaek Lee ◽  
Yongsug Tak
Keyword(s):  
Ionic Liquid ◽  
Specific Capacity ◽  
High Capacity ◽  
Liquid Electrolyte ◽  
Rechargeable Batteries ◽  
Organic Additive ◽  
High Current ◽  
High Specific Capacity ◽  
Ionic Liquid Electrolyte ◽  
Fast Charging

The electrolyte containing benzene additive in Al-ion battery exhibited the best electrochemical properties with a high specific capacity at an extremely high current rate.

scholarly journals Exploring the potentials of Ti3N2 and Ti3N2X2 (X = O, F, OH) monolayers as anodes for Li or non-Li ion batteries from first-principles calculations

RSC Advances ◽  
2019 ◽  
Vol 9 (69) ◽  
pp. 40340-40347 ◽  
Author(s):  
Hongli Yu ◽  
Wei Lin ◽  
Yongfan Zhang ◽  
Yi Li ◽  
Kaining Ding ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Metal Ion ◽  
Anode Materials ◽  
Rechargeable Batteries ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Dft Computations ◽  
Li Ion

The electronic properties and metal ion (Li, Na, Mg) storage capabilities of the two-dimensional Ti3N2 monolayer and its Ti3N2X2 derivatives (X = O, F, OH) as anode materials in rechargeable batteries are investigated by DFT computations.

A promising anode material for sodium-ion battery with high capacity and high diffusion ability: graphyne and graphdiyne

RSC Advances ◽  
2016 ◽  
Vol 6 (30) ◽  
pp. 25594-25600 ◽  
Author(s):  
Zhenming Xu ◽  
Xiaojun Lv ◽  
Jie Li ◽  
Jiangan Chen ◽  
Qingsheng Liu
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Storage Capacity ◽  
High Capacity ◽  
Hollow Structure ◽  
Sodium Ion ◽  
Sodium Ion Battery ◽  
First Principles Calculations ◽  
High Diffusion

First-principles calculations indicate that a novel atomic hollow structure of graphyne and graphdiyne made up of sp- and sp2-hybridized carbon atoms reinforces not only the Na storage capacity but also the Na diffusion.

scholarly journals Germagraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations

2019 ◽  
Vol 4 (2) ◽  
pp. 457-463 ◽  
Author(s):  
Junping Hu ◽  
Chuying Ouyang ◽  
Shengyuan A. Yang ◽  
Hui Ying Yang
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
High Capacity ◽  
Lithium Ion ◽  
First Principles Calculations

We predict that germanium doping can help to turn graphene into an ideal LIB anode material with an extremely high capacity.

scholarly journals Dipole-induced Ohmic contacts between monolayer Janus MoSSe and bulk metals

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Ning Zhao ◽  
Udo Schwingenschlögl
Keyword(s):  
First Principles ◽  
Ohmic Contacts ◽  
Electrode Materials ◽  
Electronic Device ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Fermi Level Pinning ◽  
Common Electrode ◽  
Two Sides ◽  
Metallic Electrodes

AbstractUtilizing a two-dimensional material in an electronic device as channel layer inevitably involves the formation of contacts with metallic electrodes. As these contacts can dramatically affect the behavior of the device, we study the electronic properties of monolayer Janus MoSSe in contact with different metallic electrodes by first-principles calculations, focusing on the differences in the characteristics of contacts with the two sides of MoSSe. In particular, we demonstrate that the Fermi level pinning is different for the two sides of MoSSe, with the magnitude resembling that of MoS2 or MoSe2, while both sides can form Ohmic contacts with common electrode materials without any further adaptation, which is an outstanding advantage over MoS2 and MoSe2.

The Coralloid-carbon Material Based on Biomass as Promising Anode Material for Lithium and Sodium Storage

2021 ◽  
Author(s):  
Ziqiang Yu ◽  
Zhiqiang Zhao ◽  
Tingyue Peng
Keyword(s):  
Lithium Ion Battery ◽  
Anode Material ◽  
Carbon Material ◽  
Specific Capacity ◽  
Lithium Ion ◽  
High Specific Capacity ◽  
Further Development ◽  
Sodium Storage ◽  
Cycling Life

Lithium ion battery (LIB), advantageous in high specific capacity, long cycling life and eco-friendly, has been widely used in many fields. The dwindling reserves, however, limit the further development. Sharing...

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