Ab initio investigation of Jahn–Teller-distortion-tuned Li-ion migration in λ-MnO2

2017 ◽  
Vol 5 (20) ◽  
pp. 9618-9626 ◽  
Author(s):  
Fanghua Ning ◽  
Bo Xu ◽  
Jing Shi ◽  
Haibin Su ◽  
Musheng Wu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ion Migration ◽  
Teller Distortion ◽  
Migration Barriers ◽  
Jahn Teller ◽  
Li Ion ◽  
The Relationship ◽  
Jahn Teller Distortion

The relationship between the Jahn–Teller distortions and the migration barriers is established in λ-MnO2.

Jahn–Teller distortion affected Li ion migration in spinel TiO2

2017 ◽  
Vol 312 ◽  
pp. 17-20 ◽  
Author(s):  
Fanghua Ning ◽  
Hewen Wang ◽  
Bo Xu ◽  
Chuying Ouyang
Keyword(s):  
Ion Migration ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Li Ion ◽  
Jahn Teller Distortion

scholarly journals Lattice Compensation to Jahn–Teller Distortion in Na-Rich Manganese Hexacyanoferrate for Li-Ion Storage: An Operando Study

2020 ◽  
Vol 3 (6) ◽  
pp. 5728-5733 ◽  
Author(s):  
Angelo Mullaliu ◽  
Mattia Gaboardi ◽  
Jasper Rikkert Plaisier ◽  
Stefano Passerini ◽  
Marco Giorgetti
Keyword(s):  
Teller Distortion ◽  
Ion Storage ◽  
Jahn Teller ◽  
Li Ion ◽  
Jahn Teller Distortion

The impact of morphotropy and polymorphism on electric properties of manganites: the case of Sr0.5Ca0.5Mn1−xVxO3−δ

2020 ◽  
Vol 8 (32) ◽  
pp. 16497-16505 ◽  
Author(s):  
Ekaterina I. Konstantinova ◽  
Ilia A. Leonidov ◽  
Alexey A. Markov ◽  
Rina F. Samigullina ◽  
Andrey V. Chukin ◽  
...  
Keyword(s):  
Electric Properties ◽  
Charge Carriers ◽  
Teller Distortion ◽  
Energy Parameters ◽  
Mobility Of Charge Carriers ◽  
Jahn Teller ◽  
Doped Manganites ◽  
The Impact ◽  
The Relationship ◽  
Jahn Teller Distortion

Unraveling the relationship between temperature, concentration of donor ions, the Jahn–Teller distortion of MnO6 octahedra and energy parameters which define the formation and mobility of charge carriers in electron-doped manganites.

Monitoring LaMnO 3 Jahn–Teller distortion via electric-field gradient ab initio calculations

2019 ◽  
Vol 1 (4) ◽  
pp. 045001
Author(s):  
A M L Lopes ◽  
R C Teixeira ◽  
R P Moreira ◽  
H M Petrilli ◽  
L V C Assali ◽  
...  
Keyword(s):  
Electric Field ◽  
Ab Initio Calculations ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion
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