First Principles Design of Hybrid Cathode Architectures Based on LiMn2O4 Spinel Oxides

2016 ◽  
Keyword(s):  
First Principles ◽  
Limn2o4 Spinel ◽  
Spinel Oxides

Effects of Partial Acid Delithiation on the Electrochemical Lithium Insertion Properties of Nickel-Stabilized LiMn2O4 Spinel Oxides

2000 ◽  
Vol 150 (1) ◽  
pp. 196-203 ◽  
Author(s):  
P. Lavela ◽  
L. Sánchez ◽  
J.L. Tirado ◽  
S. Bach ◽  
J.P. Pereira-Ramos
Keyword(s):  
Lithium Insertion ◽  
Limn2o4 Spinel ◽  
Spinel Oxides

scholarly journals First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry

2018 ◽  
Vol 10 (16) ◽  
pp. 13479-13490 ◽  
Author(s):  
Soo Kim ◽  
Vinay I. Hegde ◽  
Zhenpeng Yao ◽  
Zhi Lu ◽  
Maximilian Amsler ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Cobalt Spinel ◽  
Spinel Oxides ◽  
Lithium Cobalt

Center-Environment Feature Model for Machine Learning Study of Spinel Oxides Based on First-Principles Computations

2020 ◽  
Vol 124 (52) ◽  
pp. 28458-28468
Author(s):  
Yihang Li ◽  
Bin Xiao ◽  
Yuchao Tang ◽  
Fu Liu ◽  
Xiaomeng Wang ◽  
...  
Keyword(s):  
Machine Learning ◽  
First Principles ◽  
Feature Model ◽  
Learning Study ◽  
Spinel Oxides

scholarly journals First-principles electronic structure calculations for the whole spinel oxide solid solution range MnxCo3−xO4 (0 ≤ x ≤ 3) and their comparison with experimental data

2016 ◽  
Vol 18 (37) ◽  
pp. 26166-26176 ◽  
Author(s):  
Rémi Arras ◽  
Thi Ly Le ◽  
Sophie Guillemet-Fritsch ◽  
Pascal Dufour ◽  
Christophe Tenailleau
Keyword(s):  
Experimental Data ◽  
First Principles ◽  
Photovoltaic Cells ◽  
Electronic Structure Calculations ◽  
Spinel Oxide ◽  
Oxide Solid Solution ◽  
Solid Solution Range ◽  
Spinel Oxides ◽  
Structure Calculations ◽  
Comparison With Experimental Data

Transition metal spinel oxides have recently been suggested for the creation of efficient photovoltaic cells or photocatalysts.

X-ray absorption near-edge structures of LiMn2O4 and LiNi0.5Mn1.5O4 spinel oxides for lithium-ion batteries: the first-principles calculation study

2016 ◽  
Vol 18 (27) ◽  
pp. 17827-17830 ◽  
Author(s):  
Toyoki Okumura ◽  
Yoichi Yamaguchi ◽  
Hironori Kobayashi
Keyword(s):  
Phase Transitions ◽  
Lithium Ion Batteries ◽  
First Principles ◽  
Environmental Changes ◽  
Lithium Ion ◽  
First Principles Calculation ◽  
X Ray ◽  
Spinel Oxides ◽  
X Ray Absorption

Mn and Ni K-edge XANES shapes are strongly dominated by the local environmental changes around the Mn and Ni centres due to the changes in the location of the Li ions and/or phase transitions in both the 5 V-class LixNi0.5Mn1.5O4 spinel and the 4 V-class LixMn2O4 spinel.

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