Suppression of Jahn–Teller distortion of spinel LiMn2O4 cathode

2009 ◽  
Vol 479 (1-2) ◽  
pp. 310-313 ◽  
Author(s):  
Xifei Li ◽  
Youlong Xu ◽  
Chunlei Wang
2021 ◽  
Vol 490 ◽  
pp. 229519
Author(s):  
Renier Arabolla Rodríguez ◽  
Nelcy Della Santina Mohallem ◽  
Manuel Avila Santos ◽  
Demetrio A. Sena Costa ◽  
Luciano Andrey Montoro ◽  
...  

Materials ◽  
2018 ◽  
Vol 11 (9) ◽  
pp. 1558 ◽  
Author(s):  
Hongyuan Zhao ◽  
Xiuzhi Bai ◽  
Jing Wang ◽  
Dongdong Li ◽  
Bo Li ◽  
...  

In this work, LiMn2−xErxO4 (x ≤ 0.05) samples were obtained by sol-gel processing with erbium nitrate as the erbium source. XRD measurements showed that the Er-doping had no substantial impact on the crystalline structure of the sample. The optimal LiMn1.97Er0.03O4 sample exhibited an intrinsic spinel structure and a narrow particle size distribution. The introduction of Er3+ ions reduced the content of Mn3+ ions, which seemed to efficiently suppress the Jahn–Teller distortion. Moreover, the decreased lattice parameters suggested that a more stable spinel structure was obtained, because the Er3+ ions in a ErO6 octahedra have stronger bonding energy (615 kJ/mol) than that of the Mn3+ ions in a MnO6 octahedra (402 kJ/mol). The present results suggest that the excellent cycling life of the optimal LiMn1.97Er0.03O4 sample is because of the inhibition of the Jahn-Teller distortion and the improvement of the structural stability. When cycled at 0.5 C, the optimal LiMn1.97Er0.03O4 sample exhibited a high initial capacity of 130.2 mAh g−1 with an excellent retention of 95.2% after 100 cycles. More significantly, this sample showed 83.1 mAh g−1 at 10 C, while the undoped sample showed a much lower capacity. Additionally, when cycled at 55 °C, a satisfactory retention of 91.4% could be achieved at 0.5 C after 100 cycles with a first reversible capacity of 130.1 mAh g−1.


Energies ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 825
Author(s):  
Pinelopi Angelopoulou ◽  
Spyros Kassavetis ◽  
Joan Papavasiliou ◽  
Dimitris Karfaridis ◽  
Grzegorz Słowik ◽  
...  

The present work addresses the issues related to the capacity fading of spinel LiMn2O4, such as Mn leaching and Jahn–Teller distortion and suggests an advanced TiN-coated LiAl0.1Mn1.9O4 (LAMO) cathode material as an electrode for lithium-ion batteries. TiN coating layers with the same thickness but a different porosity cover the LiAl0.1Mn1.9O4 electrode via reactive magnetron sputtering, and present promising electrochemical behavior. In contrast with the pristine LiAl0.1Mn1.9O4, the dense TiN-coated LiAl0.1Mn1.9O4 electrode demonstrates a remarkable long-term cycling by reducing the contact area of the electrode/electrolyte interface, resulting in structure stabilization.


2020 ◽  
Author(s):  
Marta L. Vidal ◽  
Michael Epshtein ◽  
Valeriu Scutelnic ◽  
Zheyue Yang ◽  
Tian Xue ◽  
...  

We report a theoretical investigation and elucidation of the x-ray absorption spectra of neutral benzene and of the benzene cation. The generation of the cation by multiphoton ultraviolet (UV) ionization as well as the measurement of<br>the carbon K-edge spectra of both species using a table-top high-harmonic generation (HHG) source are described in the companion experimental paper [M. Epshtein et al., J. Phys.<br>Chem. A., submitted. Available on ChemRxiv]. We show that the 1sC -> pi transition serves as a sensitive signature of the transient cation formation, as it occurs outside of the spectral window of the parent neutral species. Moreover, the presence<br>of the unpaired (spectator) electron in the pi-subshell of the cation and the high symmetry of the system result in significant differences relative to neutral benzene in the spectral features associated with the 1sC ->pi* transitions. High-level calculations using equation-of-motion coupled-cluster theory provide the interpretation of the experimental spectra and insight into the electronic structure of benzene and its cation.<br>The prominent split structure of the 1sC -> pi* band of the cation is attributed to the interplay between the coupling of the core -> pi* excitation with the unpaired electron<br>in the pi-subshell and the Jahn-Teller distortion. The calculations attribute most of<br>the splitting (~1-1.2 eV) to the spin coupling, which is visible already at the Franck-Condon structure, and estimate the additional splitting due to structural relaxation to<br>be around ~0.1-0.2 eV. These results suggest that x-ray absorption with increased resolution might be able to disentangle electronic and structural aspects of the Jahn-Teller<br>effect in benzene cation.<br>


1995 ◽  
Vol 60 (9) ◽  
pp. 1429-1434
Author(s):  
Martin Breza

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.


1989 ◽  
Vol 03 (04) ◽  
pp. 355-359 ◽  
Author(s):  
S.L. YUAN ◽  
B.H. HOU ◽  
S.Z. JIN ◽  
W. WANG ◽  
G.G. ZHENG ◽  
...  

The preliminary study on the electron spin resonance (ESR) for the Bi-Sr-Ca-Cu-O system with different superconducting transition temperatures has been made at room temperature. It is found that the Lande factor g-values are increased with increasing zero resistance temperature T c0 but width between peaks ΔH pp of the ESR spectrum decreased with increasing T c0 . These might be attributed to the spin-orbit coupling of the magnetic ions and the Jahn-Teller distortion in the perpendicular component.


2005 ◽  
Vol 117 (41) ◽  
pp. 6904-6908 ◽  
Author(s):  
Ian J. Blackmore ◽  
Adam J. Bridgeman ◽  
Neil Harris ◽  
Mark A. Holdaway ◽  
John F. Rooms ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document