Graphdiyne as an ideal monolayer coating material for lithium-ion battery cathodes with ultralow areal density and ultrafast Li penetration

2018 ◽  
Vol 6 (26) ◽  
pp. 12630-12636 ◽  
Author(s):  
Sheng Gong ◽  
Shuo Wang ◽  
Junyi Liu ◽  
Yaguang Guo ◽  
Qian Wang
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Lithium Ion ◽  
Areal Density ◽  
Coating Material ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Li Ion

Graphdiyne coating for cathodes of Li-ion batteries is proposed using first-principles calculations with ultralow areal density and ultrafast Li penetration.

Comparative Studies on VS2 Bilayer and VS2/Graphene Heterostructure as the Anodes of Li Ion Battery

2021 ◽  
Vol 894 ◽  
pp. 61-66
Author(s):  
Rui Zhi Dong
Keyword(s):  
Binding Energy ◽  
Diffusion Barrier ◽  
First Principles ◽  
Electronic Devices ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Capacity Loss ◽  
Li Ion ◽  
And Diffusion

Due to the development of various mobile electronic devices, such as electric vehicles, rechargeable ion batteries are becoming more and more important. However, the current commercial lithium-ion batteries have obvious defects, including poor safety from Li dendrite and flammable electrolyte, quick capacity loss and low charging and discharging rate. It is very important to find a better two-dimensional material as the anode of the battery to recover the disadvantages. In this paper, first principles calculations are used to explore the performances of VS2 bilayer and VS2 / graphene heterostructure as the anodes of Li ion batteries. Based on the calculation of the valences, binding energy, intercalation voltage, charge transfer and diffusion barrier of Li, it is found that the latter can be used as a better anode material from the perspective of insertion voltage and binding energy. At the same time, the former one is better in terms of diffusion barrier. Our study provides a comprehensive understanding on VS2 based 2D anodes.

Systematic Search for Lithium Ion Conducting Compounds by Screening of Compositions Combined with Atomistic Simulation

MRS Advances ◽  
2017 ◽  
Vol 2 (9) ◽  
pp. 483-489 ◽  
Author(s):  
Daniel Mutter ◽  
Daniel F. Urban ◽  
Christian Elsässer
Keyword(s):  
First Principles ◽  
Atomistic Simulation ◽  
Ionic Conduction ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Simulation Approach ◽  
Structural Framework ◽  
Li Ion ◽  
Ion Conducting

ABSTRACTReplacing liquid by solid state electrolytes has the potential to significantly improve current Li ion batteries concerning performance and safety. The material class NZP, based on the compound NaZr2(PO4)3, exhibits a structural framework suitable for ionic conduction. In this work, a systematic compositional screening and simulation approach, combining classical molecular-dynamics, first-principles calculations, and structural analysis was applied, with which a set of new Li ion conducting NZP compounds could be identified.

First-principles study on properties of Sn-doped LiCoO2 for Li-ion batteries

2021 ◽  
Author(s):  
Ruihan Yang ◽  
Mengke Guan ◽  
Ruirui Zhao ◽  
Qiong Luo
Keyword(s):  
Phase Transformation ◽  
Lithium Ion Battery ◽  
High Voltage ◽  
First Principles ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Rocksalt Structure ◽  
Battery Electrode ◽  
Li Ion ◽  
Irreversible Phase Transformation

The key for the application of LiCoO2 as lithium-ion battery electrode under high voltage is to suppress the irreversible phase transformation from the layered to the spinel/rocksalt structure during cycling....

scholarly journals Computational screening of phosphite derivatives as high-performance additives in high-voltage Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (32) ◽  
pp. 20049-20056 ◽  
Author(s):  
Young-Kyu Han ◽  
Jaeik Yoo ◽  
Taeeun Yim
Keyword(s):  
High Voltage ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Computational Screening ◽  
Screening Protocol ◽  
Li Ion ◽  
Performance Additives ◽  
Additive Materials

We presented a computational screening protocol for the efficient development of cathode-electrolyte interphase (CEI)-forming additive materialsviathe first-principles calculations.

scholarly journals Designing of Lithium - Ion Battery Pack Rechargeable on a Hybrid System with Battery Management System (BMS) for DC Loads of Low Power Applications – A Prototype Model

2021 ◽  
Vol 2089 (1) ◽  
pp. 012017
Author(s):  
Ramu Bhukya ◽  
Praveen Kumar Nalli ◽  
Kalyan Sagar Kadali ◽  
Mahendra Chand Bade
Keyword(s):  
Lithium Ion Battery ◽  
Management System ◽  
Short Circuit ◽  
Lithium Ion ◽  
Battery Pack ◽  
Prototype Model ◽  
Battery Management System ◽  
Battery Management ◽  
Li Ion Batteries ◽  
Li Ion

Abstract Now a days, Li-ion batteries are quite possibly the most exceptional battery-powered batteries; these are drawing in much consideration from recent many years. M Whittingham first proposed lithium-ion battery technology in the 1970s, using titanium sulphide for the cathode and lithium metal for the anode. Li-ion batteries are the force to be reckoned with for the advanced electronic upset in this cutting-edge versatile society, solely utilized in cell phones and PC computers. A battery is a Pack of cells organized in an arrangement/equal association so the voltage can be raised to the craving levels. Lithium-ion batteries, which are completely utilised in portable gadgets & electric vehicles, are the driving force behind the digital technological revolution in today’s mobile societies. In order to protect and maintain voltage and current of the battery with in safe limit Battery Management System (BMS) should be used. BMS provides thermal management to the battery, safeguarding it against over and under temperature and also during short circuit conditions. The battery pack is designed with series and parallel connected cells of 3.7v to produce 12v. The charging and releasing levels of the battery pack is indicated by interfacing the Arduino microcontroller. The entire equipment is placed in a fiber glass case (looks like aquarium) in order to protect the battery from external hazards to design an efficient Lithium-ion battery by using Battery Management System (BMS). We give the supply to the battery from solar panel and in the absence of this, from a regular AC supply.

scholarly journals Charge and Discharge Behaviour of Li-Ion Batteries at Various Temperatures Containing LiCoO2 Nanostructured Cathode Produced by CCSO

2015 ◽  
Vol 15 (4) ◽  
pp. 301 ◽  
Author(s):  
Y.Y. Mamyrbayeva ◽  
R.E. Beissenov ◽  
M.A. Hobosyan ◽  
S.E. Kumekov ◽  
K.S. Martirosyan
Keyword(s):  
Lithium Ion Battery ◽  
Active Material ◽  
Lithium Ion ◽  
Synthetic Approach ◽  
Capacity Fade ◽  
Li Ion Batteries ◽  
Material Loss ◽  
Method Performance ◽  
Battery Capacity ◽  
Li Ion

<p>There are technical barriers for penetration market requesting rechargeable lithium-ion battery packs for portable devices that operate in extreme hot and cold environments. Many portable electronics are used in very cold (-40 °C) environments, and many medical devices need batteries that operate at high temperatures. Conventional Li-ion batteries start to suffer as the temperature drops below 0 °C and the internal impedance of the battery  increases. Battery capacity also reduced during the higher/lower temperatures. The present work describes the laboratory made lithium ion battery behaviour features at different operation temperatures. The pouch-type battery was prepared by exploiting LiCoO<sub>2</sub> cathode material synthesized by novel synthetic approach referred as Carbon Combustion Synthesis of Oxides (CCSO). The main goal of this paper focuses on evaluation of the efficiency of positive electrode produced by CCSO method. Performance studies of battery showed that the capacity fade of pouch type battery increases with increase in temperature. The experimental results demonstrate the dramatic effects on cell self-heating upon electrochemical performance. The study involves an extensive analysis of discharge and charge characteristics of battery at each temperature following 30 cycles. After 10 cycles, the battery cycled at RT and 45 °C showed, the capacity fade of 20% and 25% respectively. The discharge capacity for the battery cycled at 25 °C was found to be higher when compared with the battery cycled at 0 °C and 45 °C. The capacity of the battery also decreases when cycling at low temperatures. It was important time to charge the battery was only 2.5 hours to obtain identical nominal capacity under the charging protocol. The decrease capability of battery cycled at high temperature can be explained with secondary active material loss dominating the other losses.</p>

Moderate Energy for Charging Li-Ion Batteries Determined by First-Principles Calculations

2018 ◽  
Vol 1 (6) ◽  
pp. 209-214 ◽  
Author(s):  
Po-Tuan Chen ◽  
Fang-Haur Yang ◽  
Thangavel Sangeetha ◽  
Hong-Min Gao ◽  
K. David Huang
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Moderate Energy ◽  
Li Ion

Low energy structures of lithium-ion battery materials Li(MnxNixCo1−2x)O2 revealed by first-principles calculations

2013 ◽  
Vol 103 (5) ◽  
pp. 053903 ◽  
Author(s):  
ShunLi Shang ◽  
Yi Wang ◽  
William Y. Wang ◽  
Huazhi Fang ◽  
Zi-Kui Liu
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Lithium Ion ◽  
Low Energy ◽  
First Principles Calculations ◽  
Battery Materials

Improving the electrochemical performance of the LiNi0.5Mn1.5O4spinel by polypyrrole coating as a cathode material for the lithium-ion battery

2015 ◽  
Vol 3 (1) ◽  
pp. 404-411 ◽  
Author(s):  
Xuan-Wen Gao ◽  
Yuan-Fu Deng ◽  
David Wexler ◽  
Guo-Hua Chen ◽  
Shu-Lei Chou ◽  
...  
Keyword(s):  
Elevated Temperature ◽  
Electrochemical Performance ◽  
Cathode Material ◽  
Electrochemical Properties ◽  
Lithium Ion Battery ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Conductive Polypyrrole

Conductive polypyrrole (PPy)-coated LiNi0.5Mn1.5O4(LNMO) composites are applied as cathode materials in Li-ion batteries, and their electrochemical properties are explored at both room and elevated temperature.

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