Crystal Orbital Overlap Population Analysis of the Capacity Fading of Metal-Substituted Spinel Lithium Manganate LiMn[sub 2]O[sub 4]

2000 ◽  
Vol 147 (11) ◽  
pp. 4052 ◽  
Author(s):  
Akira Hasegawa ◽  
Kazunari Yoshizawa ◽  
Tokio Yamabe
Keyword(s):  
Population Analysis ◽  
Capacity Fading ◽  
Crystal Orbital ◽  
Overlap Population ◽  
Lithium Manganate ◽  
Crystal Orbital Overlap Population ◽  
Spinel Lithium Manganate

Dissolution Kinetics of Spinel Lithium Manganate and its Relation to Capacity Fading in Lithium Ion Batteries

2002 ◽  
Vol 17 (6) ◽  
pp. 1476-1481 ◽  
Author(s):  
Chung-Hsin Lu ◽  
Shang-Wei Lin
Keyword(s):  
Elevated Temperatures ◽  
Lithium Ion ◽  
Dissolution Kinetics ◽  
Reaction Rate Constant ◽  
Dissolution Behavior ◽  
Capacity Fading ◽  
Dissolution Reaction ◽  
Lithium Manganate ◽  
Spinel Lithium Manganate ◽  
Kinetics Of

The dissolution behavior and kinetics of spinel lithium manganate LiMn2O4 with different particle sizes have been investigated in this study. The dissolution of manganese cations from LiMn2O4 is confirmed to occur when LiMn2O4 particles are immersed in the electrolytes. The amount of dissolved manganese ions markedly increases with a rise in temperature and a decrease in particle size, which implies that the capacity fading of LiMn2O4 at elevated temperatures is associated with manganese dissolution. On the basis of the isothermal analysis of reaction kinetics, the rate of manganese dissolution from LiMn2O4 is dominated by the rate of dissolution reaction. Smaller particles exhibit a larger reaction rate constant and higher activation energy of the dissolution process than the larger ones. Therefore, an increase in temperature has a more pronounced effect on the dissolution reaction of small particles than on that of large particles.

scholarly journals Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrate

2015 ◽  
Vol 17 (46) ◽  
pp. 31023-31029 ◽  
Author(s):  
Michael T. Ruggiero ◽  
Alessandro Erba ◽  
Roberto Orlando ◽  
Timothy M. Korter
Keyword(s):  
Copper Sulfate ◽  
Population Analyses ◽  
Sulfate Pentahydrate ◽  
Crystal Orbital ◽  
Copper Sulfate Pentahydrate ◽  
Overlap Population ◽  
Copper Coordination ◽  
Crystal Orbital Overlap Population ◽  
Insight Into

Crystal orbital overlap population and crystal orbital Hamiltonian population analyses provide insight into the differing water coordination geometries found in crystalline copper(ii) sulfate pentahydrate.

Bond overlap population analysis on through-space electron transfer in [3 ]cyclophanes (n= 2 – 5)

2014 ◽  
Vol 554 ◽  
pp. 170-174 ◽  
Author(s):  
Ken Tokunaga ◽  
Shigekazu Ohmori ◽  
Hiroshi Kawabata
Keyword(s):  
Electron Transfer ◽  
Population Analysis ◽  
Overlap Population
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