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1
Published in 2020 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202000363
Abstract: The relatively low capacity and capacity fade of spinel LiMn2O4 (LMO) limit its application as a cathode material for lithium‐ion batteries. Extending the potential window of LMO below 3 V to access double capacity would…
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Keywords:
double capacity;
teller distortion;
jahn teller;
capacity ... See more keywords
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2
Published in 2023 at "Small"
DOI: 10.1002/smll.202301360
Abstract: Layered transition metal oxides are promising cathode materials for sodium-ion batteries due to their high energy density and appropriate operating potential. However, the poor structural stability is a major drawback to their widespread application. To…
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Keywords:
ion batteries;
performance;
jahn teller;
sodium ion ... See more keywords
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Published in 2017 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2016.09.011
Abstract: Abstract In view of recent experimental and theoretical developments, we revisit our earlier theoretical studies (Mahapatra et al., 2004, 2005) on the Jahn–Teller effect in the degenerate X ∼ 2 E electronic ground state of…
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Keywords:
state;
electronic ground;
teller effect;
state ch3f ... See more keywords
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Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.07.010
Abstract: Abstract We consider the relativistic multi-mode 3 E × ( t 2 + e ) Jahn-Teller effect for tetrahedral atomic complexes in a triplet electronic state. Our analysis is based on the symmetry properties of…
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Keywords:
jahn teller;
teller effect;
triplet electronic;
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1
Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.154139
Abstract: Abstract Comparative study of the effects of substitution (25%) of Jahn-Teller (JT) active Cu2+ and non JT active Mn2+ cations, at the Ni2+ site, on the geometric frustration (GF) and cooperative JT distortion (CJTD) in…
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Keywords:
teller geometric;
geometric frustration;
jahn teller;
frustration ... See more keywords
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Published in 2019 at "Journal of Luminescence"
DOI: 10.1016/j.jlumin.2018.12.031
Abstract: Abstract Systematic analysis of fine structure of the whole energy levels and spin-Hamiltonian parameters (zero-field splitting (ZFS) parameter D and g-factors g // and g ⊥ ) for the ground state 3 A 2 (…
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Keywords:
structure;
jahn teller;
energy;
systematic analysis ... See more keywords
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1
Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2016.10.110
Abstract: Abstract Copper ferrite of spinel crystal structure was synthesized in the form of nano-particles using citrate-gel auto-combustion method. The sample morphology and composition were identified using scanning electron microscopy, X-ray diffraction, and X-ray spectroscopy. The…
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Keywords:
jahn teller;
copper ferrite;
copper;
microscopy ... See more keywords
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Published in 2021 at "Journal of Power Sources"
DOI: 10.1016/j.jpowsour.2021.229519
Abstract: Abstract This work proposes to unveil the underlying effect of Mn-interstitial defect as well as the particle size on the Jahn Teller distortion. Mn-interstitial defects and nanometric particles were characterized by HRTEM, Rietveld fitting and…
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Keywords:
size jahn;
interstitial defect;
particle size;
jahn teller ... See more keywords
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1
Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.08.017
Abstract: Abstract The ground and lower-lying excited electronic states of MX3 and MX4 (M = Mo, W; X = F, Cl) molecules were systematically studied by the complete active space self-consistent field (CASSCF) and multiconfigurational quasi-degenerate second-order perturbation (XMCQDPT2) methods.…
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Keywords:
state;
teller effect;
jahn teller;
spin ... See more keywords
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Published in 2020 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2020.412101
Abstract: Abstract We report on the electrical resistivity, the specific heat, and differential thermal analysis of LaMn1-xCrxO3 (x = 0.00–0.35) polycrystalline compounds at T > 300 K, as well as on their magnetic properties in the temperature range from 80 K to…
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Keywords:
jahn;
orthorhombic rhombohedral;
jahn teller;
lamn1 xcrxo3 ... See more keywords
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1
Published in 2021 at "Solid State Communications"
DOI: 10.1016/j.ssc.2020.114121
Abstract: Abstract The origin of pairing mechanism and the coexisting order parameters in F e -based superconductors have been attracting increasing attention. The tetragonal to orthorhombic phase transition which leads the antiferromagnetic phase transition in many…
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Keywords:
wave;
jahn teller;
model;
based superconductors ... See more keywords