Understanding the Sodium Ion Transport Properties，Deintercalation Mechanism, Phase Evolution of Na2Mn2Si2O7 Cathode by Atomistic Simulation

2020 ◽  
Author(s):  
Yuting Xie ◽  
Keshu Dai ◽  
Qinyun Wang ◽  
Fanpei Gu ◽  
Miao Shui ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ion Transport ◽  
Cathode Material ◽  
Transport Properties ◽  
Atomistic Simulation ◽  
Phase Evolution ◽  
Sodium Ion ◽  
Sodium Ion Transport ◽  
Material Migration

The molecular dynamics (MD) together with fist principles method (DFT) reveal that Na+ is capable of migrating three dimensionally in Na2Mn2Si2O7 cathode material. Migration along the a-axis and c-axis own...

Lithium- and sodium-ion transport properties of Li2Ti6O13, Na2Ti6O13 and Li2Sn6O13

2019 ◽  
Vol 279 ◽  
pp. 120930 ◽  
Author(s):  
Yohandys A. Zulueta ◽  
Paul Geerlings ◽  
Frederik Tielens ◽  
Minh Tho Nguyen
Keyword(s):  
Ion Transport ◽  
Transport Properties ◽  
Sodium Ion ◽  
Sodium Ion Transport

Polymer architecture effect on sodium ion transport in PSTFSI-based ionomers: A molecular dynamics study

2016 ◽  
Vol 288 ◽  
pp. 271-276 ◽  
Author(s):  
Xingyu Chen ◽  
Fangfang Chen ◽  
Ming S. Liu ◽  
Maria Forsyth
Keyword(s):  
Molecular Dynamics ◽  
Ion Transport ◽  
Sodium Ion ◽  
Polymer Architecture ◽  
Sodium Ion Transport

Defects and Ion Transport Properties of Yttrium Doped Zirconia

1996 ◽  
Vol 453 ◽  
Author(s):  
P. J. Chaba ◽  
P. E. Ngoepe
Keyword(s):  
Molecular Dynamics ◽  
Oxygen Vacancy ◽  
Ion Transport ◽  
Transport Properties ◽  
Temperature Variation ◽  
Yttrium Oxide ◽  
Elastic Constants ◽  
Oxygen Transport ◽  
Solid Oxide ◽  
Set Up

AbstractA comparison of calculated and experimental temperature variation of elastic constants were used to predict types of oxygen—vacancy dopant clusters in yttria stabilised cubic zirconia, which serves as an electrolyte in solid oxide fuelcells. Such clusters were incorporated in supercells set up for molecular dynamics studies, where oxygen transport properties were investigated at concentrations of 9.4 and 24 mol % of yttrium oxide and up to 1600K.

scholarly journals Sulfatides and sodium ion transport, sphingolipid composition of the rectal gland of spiny dogfish

FEBS Letters ◽  
1968 ◽  
Vol 2 (1) ◽  
pp. 4-6 ◽  
Author(s):  
Karl-Anders Karlsson ◽  
Bo E. Samuelsson ◽  
Göran O. Steen
Keyword(s):  
Ion Transport ◽  
Sodium Ion ◽  
Rectal Gland ◽  
Spiny Dogfish ◽  
Sodium Ion Transport
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