Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li7+2x–y(La3–xRbx)(Zr2–yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation

2013 ◽  
Vol 25 (15) ◽  
pp. 3048-3055 ◽  
Author(s):  
Lincoln J. Miara ◽  
Shyue Ping Ong ◽  
Yifei Mo ◽  
William Davidson Richards ◽  
Youngsin Park ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
First Principles ◽  
Superionic Conductor ◽  
Ta Doping

Atomic structures and electronic properties of Ta-doped 2H-NbSe2

RSC Advances ◽  
2014 ◽  
Vol 4 (101) ◽  
pp. 57541-57546 ◽  
Author(s):  
Hongping Li ◽  
Shuai Liu ◽  
Lin Chen ◽  
Jun Wu ◽  
Peng Zhang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Atomic Structures ◽  
The Impact ◽  
Ta Doping

First-principles calculations are conducted to investigate the impact of Ta doping on the atomistic structures and electronic properties of the technologically relevant 2H-NbSe2.

First principles study of a SnS2/graphene heterostructure: a promising anode material for rechargeable Na ion batteries

2016 ◽  
Vol 4 (37) ◽  
pp. 14316-14323 ◽  
Author(s):  
Abdus Samad ◽  
Mohammad Noor-A-Alam ◽  
Young-Han Shin
Keyword(s):  
Ionic Conductivity ◽  
Anode Material ◽  
First Principles ◽  
Storage Capacity ◽  
Mechanical Stability ◽  
Low Cost ◽  
High Potential ◽  
First Principles Study

The low cost, high Na storage capacity, high electronic and ionic conductivity, nontoxic nature, and enhanced mechanical stability of the SnS2/graphene heterostructure show the high potential of this material as a commercial anode material for Na ion batteries.

Ionic Conductivity of Quasi-One-Dimensional Superionic Conductor KTiOPO4(KTP) Single Crystal

1993 ◽  
Vol 62 (1) ◽  
pp. 183-195 ◽  
Author(s):  
Shin-ichi Furusawa ◽  
Hisaaki Hayasi ◽  
Yoshihiro Ishibashi ◽  
Akio Miyamoto ◽  
Takatomo Sasaki
Keyword(s):  
Ionic Conductivity ◽  
Single Crystal ◽  
Superionic Conductor ◽  
One Dimensional
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