scholarly journals Ab initio calculations of Li2(Co, Mn)O8 solid solutions for rechargeable batteries

2019 ◽  
Vol 33 (15) ◽  
pp. 1950151 ◽  
Author(s):  
Roberts Eglitis
Keyword(s):  
Cathode Material ◽  
Ab Initio ◽  
Cathode Materials ◽  
Rechargeable Batteries ◽  
Li Ion Batteries ◽  
Battery Voltage ◽  
Perfect Agreement ◽  
Calculation Results ◽  
Li Ion ◽  
Calculated Average

Current commercially available rechargeable Li-ion batteries, for example LiCoO2, are working mostly in the 4 V regime. One often suggested possibility to improve the effectivity of Li-ion batteries are the creation of the 5 V cathode materials. We performed quantum mechanical calculations on the average battery voltage for the Li2Co[Formula: see text]Mn[Formula: see text]O8 (x = 0, 1, 2, 3 and 4) cathode materials by means of the WIEN2k computer program package. The calculated average battery voltages for x = 0, 1, 2, 3 and 4 are equal to 3.95, 5, 4.47, 4.19 and 3.99 V. Our ab initio calculation results are compared with the available experimental data for x = 0, 1, 2 and 4 which are equal to 4, 5, 5 and 4 V. Thereby, for the Li2Co1Mn3O8 battery cathode material, our calculated average battery voltage around 5 V is in perfect agreement with the experimentally available battery voltage value of 5 Volt. Nevertheless, our calculated average battery voltage is underestimated (4.47 V) for the Li2Co2Mn2O8 cathode material, which also experimentally exhibits the 5 V voltage.

Phase stability of Li–Mn–O oxides as cathode materials for Li-ion batteries: insights from ab initio calculations

2014 ◽  
Vol 16 (23) ◽  
pp. 11233-11242 ◽  
Author(s):  
R. C. Longo ◽  
F. T. Kong ◽  
Santosh KC ◽  
M. S. Park ◽  
J. Yoon ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Phase Stability ◽  
Cathode Materials ◽  
Chemical Potential ◽  
Li Ion Batteries ◽  
Li Ion ◽  
O Phase

The Li–Mn–O phase diagram as a function of the chemical potential of Li and O and the pH.

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.

scholarly journals An overview of bio-interface electrolyte and Li2FePO4F as cathode in Li-ion batteries

2019 ◽  
Vol 9 (2) ◽  
pp. 3866-3873
Keyword(s):  
Cathode Material ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Sol Gel ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
View Point ◽  
Iron Nickel ◽  
Li Ion ◽  
Charge Discharge

Composites of {[(1-x-y) LiFe0.333Ni0.333 Co0.333] PO4}, xLi2FePO4F and yLiCoPO4system were synthesized using the sol-gel method. Stoichiometric weights of the mole-fraction of LiOH, FeCl2·4H2O and H3PO4, LiCl, Ni(NO3)2⋅6H2O, Co(Ac)2⋅4H2O, as starting materials of lithium, Iron, Nickel , and Cobalt, in 7 samples of the system, respectively. We exhibited Li1.167 Ni0.222 Co0.389 Fe0.388 PO4 is the best composition for cathode material in this study. Obviously, the used weight of cobalt in these samples is lower compared with LiCoO2 that is an advantage in view point of cost in this study. Charge-discharge haracteristics of the mentioned cathode materials were investigated by performing cycle tests in the range of 2.4–3.8 V (versus Li/Li+). Our results confirmed, although these kind systems can help for removing the disadvantage of cobalt which mainly is its cost and toxic, the performance of these kind systems are similar to the commercial cathode materials in Lithium Ion batteries (LIBs).

Rate Dependent Structural Changes, Cycling Stability, and Li-Ion Diffusivity in a Layered-Layered Oxide Cathode Material after Prolonged Cycling

2021 ◽  
Author(s):  
Songyoot Kaewmala ◽  
Wanwisa Limphirat ◽  
Visittapong Yordsri ◽  
Jeffrey Nash ◽  
Sutham Srilomsak ◽  
...  
Keyword(s):  
Cathode Material ◽  
Cathode Materials ◽  
Large Scale ◽  
Structural Changes ◽  
Cycling Stability ◽  
Li Ion Batteries ◽  
Layered Oxide ◽  
Rate Dependent ◽  
Oxide Cathode ◽  
Li Ion

Li-rich layered oxide (LLO) cathode materials, xLi2MnO3·(1-x)LiCoO2 (0<x<1, M= Mn, Ni, Co, etc.) are considered promising cathode materials in Li-ion batteries for large scale applications.

Effects of V2O5 nanowires on the performances of Li2MnSiO4 as a cathode material for lithium-ion batteries

RSC Advances ◽  
2015 ◽  
Vol 5 (62) ◽  
pp. 50316-50323 ◽  
Author(s):  
Hai Zhu ◽  
Xiaoling Ma ◽  
Ling Zan ◽  
Youxiang Zhang
Keyword(s):  
Cathode Material ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Li Ion Batteries ◽  
Li Ion

Effects of V2O5 nanowires on the performances of Li2MnSiO4 as cathode materials for Li-ion batteries were tested and analyzed.

Ab-initio design of novel cathode material LiFeP1-Si O4 for rechargeable Li-ion batteries

2019 ◽  
Vol 313 ◽  
pp. 70-78
Author(s):  
Sangkoan Yi ◽  
Janghyuk Moon ◽  
Maenghyo Cho ◽  
Kyeongjae Cho
Keyword(s):  
Cathode Material ◽  
Ab Initio ◽  
Li Ion Batteries ◽  
Li Ion
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