Simultaneous MgO Coating and Mg Doping of Co-Free Cathode Material for High-Voltage Sodium-Ion Batteries

2021 ◽  
Vol 130 (1B) ◽  
pp. 59-67
Author(s):  
Thien Lan Tran ◽  
Huu Duc Luong ◽  
Trong Lam Pham ◽  
Viet Bac Phung ◽  
Van An Dinh

Based on the density functional theory, we propose a promising cathode material, Na2Fe3(SO4)4, applicable for sodium-ion batteries. The crystal structure, stability, average voltage, and diffusion mechanism are carefully investigated to evaluate the electrochemical properties. The proposed material exhibits a high voltage of 4.0 V during the Na extraction. A small polaron is proved to be formed preferably at the first nearest Fe sites to Na vacancy and simultaneously accompanies the Na vacancy during its migration. Four elementary diffusion processes of the polaron–Na vacancy complexes, namely two parallel and two crossing processes, have been explored. The significant difference of activation energies between parallel and crossing processes suggests the substantial effect of the small polaron migration on the Na vacancy diffusion. We found that the parallel process along the [001] direction has the lowest activation energy of 808 meV, implying that the Na vacancy preferably diffuses in a zigzag pathway along the [001] direction.


2017 ◽  
Vol 5 (3) ◽  
pp. 1300-1310 ◽  
Author(s):  
Deu S. Bhange ◽  
Ghulam Ali ◽  
Dong-Hyun Kim ◽  
Daniel A. Anang ◽  
Tae Joo Shin ◽  
...  

Layer structured Na3Ni2BiO6 with honeycomb ordering is explored as a new high voltage and long life cathode material for sodium-ion batteries.


2016 ◽  
Vol 4 (2) ◽  
pp. 451-457 ◽  
Author(s):  
Rafael B. Araujo ◽  
M. S. Islam ◽  
Sudip Chakraborty ◽  
R. Ahuja

Sodium ion batteries have emerged as a good alternative to lithium based systems due to their low cost of production.


2019 ◽  
Vol 7 (32) ◽  
pp. 18940-18949 ◽  
Author(s):  
Xiaohao Liu ◽  
Linbin Tang ◽  
Zhi Li ◽  
Jianhua Zhang ◽  
Qunjie Xu ◽  
...  

High voltage cathode material of Na4Co3(PO4)2P2O7 is modified firstly by Al doping, and a constructed Al0.15-NCPP//HC full cell shows impressively high output voltages and superior cycling stability for rechargeable sodium-ion batteries.


2020 ◽  
Vol 132 (6) ◽  
pp. 2470-2477 ◽  
Author(s):  
Mingzhe Chen ◽  
Weibo Hua ◽  
Jin Xiao ◽  
David Cortie ◽  
Xiaodong Guo ◽  
...  

2020 ◽  
Vol 59 (6) ◽  
pp. 2449-2456 ◽  
Author(s):  
Mingzhe Chen ◽  
Weibo Hua ◽  
Jin Xiao ◽  
David Cortie ◽  
Xiaodong Guo ◽  
...  

2015 ◽  
Vol 3 (12) ◽  
pp. 6271-6275 ◽  
Author(s):  
P. Ramesh Kumar ◽  
Young Hwa Jung ◽  
Chek Hai Lim ◽  
Do Kyung Kim

The reversible electrochemical activity of the Na3V2O2x(PO4)2F3−2x compound in an aqueous solution is reported for the first time.


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