Structural Disorder and Ionic Conductivity in LiVO3: A Neutron Powder Diffraction Study from 340 to 890 K

Müller, Christophe; Valmalette, Jean‐Christophe; Soubeyroux, Jean-Louis; Bourée, F.; Gavarri, J.R.

doi:10.1006/jssc.2000.9009

Cited by 20 publications

(6 citation statements)

References 11 publications

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“…Deviations of our recorded patterns from the ones shown by Ram et al are mainly observed for the peaks of LiVO 3 , which is known to be highly hygroscopic36 and therefore might have been partially hydrolyzed before their measurements. Their reported electrical conductivity might possibly also be caused by absorbed water and/or a high intrinsic ionic conductivity36 of LiVO 3 .…”

Section: Resultscontrasting

confidence: 73%

On the Existence of LiFeVO₄ – Tales and Imagination

Clemens

Haberkorn

Beck

2011

Zeitschrift anorg allge chemie

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In this paper, we report investigations on the synthesis of LiFeVO4 as well as a reinvestigation of recently published research reports. Starting with compounds containing V4+ and Fe3+ for synthesis showed to be the best way to realize the desired composition. A single phase material could not be prepared, instead, we find a disproportionation of V4+ to V3+ and V5+ and separation of these ions into two different phases, such as Li0.5+Fe(5z–1)/2z3+V0.5z3+O4 and Li(1–0.5z)/(1–z)+Fe(1.5–2.5z)/(1–z)3+V0.5/(1–z)5+O4, with z ≈︁ 0.45. Additionally, XANES / EXAFS measurements were performed to determine the cation oxidation states and coordination.

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Section: Resultscontrasting

confidence: 73%

On the Existence of LiFeVO₄ – Tales and Imagination

Clemens

Haberkorn

Beck

2011

Zeitschrift anorg allge chemie

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“…Such metal lithium oxide formations with the stoichiometry Li 1 O 3 TM 1 for the particular systems of TM = V, Nb, and Ta was also found experimentally. − In the case of β-MoC(111), large structural distortions are found; however, it can be also explained by the unstable β-MoC(111) surface at room temperature.…”

Section: Resultssupporting

confidence: 54%

Trends in the Adsorption of Oxygen and Li₂O₂ on Transition-Metal Carbide Surfaces: A Theoretical Study

2020

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In this work we performed fundamental investigations of the adsorption of O 2 and Li 2 O 2 molecules on seven transition-metal carbide (TMC) surfaces, which present 3d, 4d and 5d TM, where TM = Ti, V, Zr, Nb, Mo, Hf and Ta. We employed density functional theory (DFT) with the semilocal meta-GGA SCAN functional. The oxide layer behaves as a passivation layer on the TiC(111), ZrC(111) and MoC(001) systems upon Li 2 O 2 adsorption, but promotes the formation of the Li 1 O 3 TM 1 layer on the VC(111), NbC(111), MoC(111), and HfC(111) surfaces due to the change in stoichiometry which is caused by the rst adsorbed Li 2 O 2 molecule. We showed that with increasing the number of the Li 2 O 2 molecules on the TMC surfaces, the contribution of the TMC surface states turns out less important to the adsorption energy of the molecules. After the rst layer of Li 2 O 2 it approaches the native crystal values, which occurs faster with the occupation of the TM d-bands. This work can make a contribution in fundamental understanding and development of new, TMC-based, catalysts for alkali-metal batteries.

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“…In the latter, the vanadate LiVO 3 appears as a potential material for lithium insertion due to the unidimensionnal character of its structure (Figure 1) 12 built up of chains of corner sharing VO 4 tetrahedra, interconnected through LiO 6 octahedra. This idea is also supported by the fact that this oxide is a good ionic conductor, 13 great possibility of structural rearrangements due to the high mobility of lithium cations in such a structure. Hereby, we demonstrate that the behavior of the tetrahedral structure of LiVO 3 is quite unusual leading by an irreversible electrochemical reaction to a very different Li-rich compound Li 2 VO 3 with the rock salt structure.…”

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confidence: 88%