Strain Effect on the Electrochemical Properties of Li2MnO3 Cathode Material: A First Principles Calculation

2012 ◽  
Vol 519 ◽  
pp. 147-151 ◽  
Author(s):  
Xiao Dong Ren ◽  
Jian Jun Liu ◽  
Wen Qing Zhang
Keyword(s):  
Solid Solution ◽  
Cathode Material ◽  
First Principles ◽  
Metal Layer ◽  
First Principles Calculation ◽  
Strain Effect ◽  
Solution System ◽  
Host Layer ◽  
Solid Solution System ◽  
Two Factors

The strain effect on the properties of Li2MnO3 cathode material is investigated by means of first principles method. The intercalation potential decreases with the strains at the extent of about 0.1V. The strain effect on the intercalation potential is anisotropic with the strain perpendicular to the host layer brings the largest decrease to the potential. Additionally, the tensile paralleling to the host layer can also open up the migrating pathway of lithium in the transition metal layer. The strain effect on the anomalously large charging capacity of Li2MnO3 stabilized LiMO2 (M = Mn, Ni, Co, etc.) solid solution system is also evaluated from the two factors.

First-Principles Investigation about the Plastic Property of Doping Ni in Ir Solid Solution System

2011 ◽  
Vol 217-218 ◽  
pp. 911-916
Author(s):  
Rong Chen ◽  
Jing Chao Chen ◽  
Jie Yu ◽  
Wen Ting Lu ◽  
Jin Hong Xue
Keyword(s):  
Solid Solution ◽  
First Principles ◽  
Density Functional ◽  
Local Density ◽  
Plastic Property ◽  
Solution System ◽  
Solid Solution System ◽  
Calculation Results ◽  
Development Tendency ◽  
The Impact

We mainly give research and application status of iridium and iridium alloy materials in this paper, then prospect development tendency and application of the iridium alloy in the future. This paper based on density functional theory of first-principles plane wave method, choose local density approximation (LDA) potential to calculate the different doped amount of Ni in Ir Solid Solution System, found the impact on plastic property, the calculation results reveal that Ir44Ni4 began to show the plastic performance, With the increaseing of the adding Ni atom later, plastic performance becomes more and more strong.

Lattice Parameter Study in the Bi1–xSbx Solid-solution System

1982 ◽  
Vol 17 (10) ◽  
pp. 1233-1239 ◽  
Author(s):  
H. Berger ◽  
B. Christ ◽  
J. Troschke
Keyword(s):  
Solid Solution ◽  
Lattice Parameter ◽  
Parameter Study ◽  
Solution System ◽  
Solid Solution System

Preparation of Barium Titanate–Potassium Niobate Solid Solution System Ceramics and Their Piezoelectric Properties

2008 ◽  
Vol 47 (9) ◽  
pp. 7678-7684 ◽  
Author(s):  
Satoshi Wada ◽  
Momoyo Nitta ◽  
Nobuhiro Kumada ◽  
Daisuke Tanaka ◽  
Masahito Furukawa ◽  
...  
Keyword(s):  
Solid Solution ◽  
Barium Titanate ◽  
Piezoelectric Properties ◽  
Potassium Niobate ◽  
Solution System ◽  
Solid Solution System

Stability of phases in (Ba, Gd)MnO3 solid solution system

2008 ◽  
Vol 26 (2) ◽  
pp. 233-236
Author(s):  
Migaku Kobayashi ◽  
Hidenori Tamura ◽  
Hiromi Nakano ◽  
Hirohisa Satoh ◽  
Naoki Kamegashira
Keyword(s):  
Solid Solution ◽  
Solution System ◽  
Solid Solution System

Evolution of dielectric properties in the (1−x) PbFe0.5Nb0.5O3–xBaFe0.5Nb0.5O3 solid solution system

2019 ◽  
Vol 54 (16) ◽  
pp. 10984-10997 ◽  
Author(s):  
I. P. Raevski ◽  
V. V. Titov ◽  
Haydn Chen ◽  
I. N. Zakharchenko ◽  
S. I. Raevskaya ◽  
...  
Keyword(s):  
Solid Solution ◽  
Dielectric Properties ◽  
Solution System ◽  
Solid Solution System
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