Electronic states realized by the interplay between Li diffusion and 
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 charge ordering in 
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Miyoshi, Kiyotaka; Manami, Kentaro; Sasai, Ryo; Nishigori, S.; Takeuchi, Jun

doi:10.1103/physrevb.98.195106

Cited by 9 publications

(31 citation statements)

References 48 publications

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“…In this range, the bulk delithiation takes place, as deduced from the analysis of the c lattice constant. Interestingly, the evolution of the lattice parameters of both the phase hex-I and hex-II follows closely the behavior found for electrochemical delithiation or for single crystals 4 , 24 . Damage is gradually introduced, as evidenced by the drop in intensity for all reflections (Fig.…”

Section: Resultssupporting

confidence: 73%

“…Regime II is effective to delithiate the bulk of the LCO film, as evidenced by the changes in Li concentration, the appearance of phase hex-II and the evolution of the lattice constants of hex-I and hex-II phases. All these features mimic the behavior of LCO upon electrochemical delithiation 4 , 16 – 18 , and that detected in single crystalline samples 24 . Additionally, in regime II, groove formation starts to occur.…”

Section: Resultssupporting

confidence: 73%

“…5 . The results are compared to measurements of the c lattice parameter for single-crystalline samples of Li x CoO 2 of well-defined composition 24 . There is an overall good agreement between both sets of data, showing that the variation in lattice parameter c is consistent with the coexistence of hex-I and hex-II phases region for 0.75 < x < 0.95.…”

Section: Resultsmentioning

confidence: 99%

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A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Salagre

Quilez

Benito

et al. 2021

Sci Rep

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We report on the delithiation of LiCoO2 thin films using oxalic acid (C2H2O4) with the goal of understanding the structural degradation of an insertion oxide associated with Li chemical extraction. Using a multi-technique approach that includes synchrotron radiation X-ray diffraction, scanning electron microscopy, micro Raman spectroscopy, photoelectron spectroscopy and conductive atomic force microscopy we reveal the balance between selective Li extraction and structural damage. We identify three different delithiation regimes, related to surface processes, bulk delithiation and damage generation. We find that only a fraction of the grains is affected by the delithiation process, which may create local inhomogeneities. However, the bulk delithiation regime is effective to delithiate the LCO film. All experimental evidence collected indicates that the delithiation process in this regime mimics the behavior of LCO upon electrochemical delithiation. We discard the formation of Co oxalate during the chemical extraction process. In conclusion, the chemical route to Li extraction provides additional opportunities to investigate delithiation while avoiding the complications associated with electrolyte breakdown and simplifying in-situ measurements.

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Section: Resultssupporting

confidence: 73%

Section: Resultssupporting

confidence: 73%

Section: Resultsmentioning

confidence: 99%

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A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Salagre

Quilez

Benito

et al. 2021

Sci Rep

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“…LiCoO 2 is a well known material utilized in Li-ion batteries [1][2][3]. In spite of the extensive literature on this material, its fundamental electronic structure and optical properties are not yet fully understood.…”

Section: Introductionmentioning

confidence: 99%

Optical response and band structure of LiCoO2 including electron-hole interaction effects

et al. 2021

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The optical response functions and band structures of LiCoO 2 are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient approximation (GGA) to quasiparticle selfconsistent QSGW (with G for Green's function and W for screened Coulomb interaction) without and with ladder diagrams (QSG Ŵ ) and the Bethe Salpeter Equation (BSE) approach. The QSGW method is found to strongly overestimate the band gap and electron-hole or excitonic effects are found to be important. They lower the quasiparticle gap by only about 11% but the lowest energy peaks in absorption are found to be excitonic in nature. The contributions from different band to band transitions and the relation of excitons to band-to-band transitions are analyzed. The excitons are found to be strongly localized. A comparison to experimental data is presented.

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“…LiCoO 2 has been mostly studied as cathode material in Li-ion batteries. [1][2][3] However, its layered structure also lends itself to the possibility of extracting interesting ultrathin monoor few layers nanoflakes. A chemical exfoliation procedure has recently been established by Pachuta et al [4] and similar exfoliation studies have also been done on Na x CoO 2 .…”

Section: Introductionmentioning

confidence: 99%

Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

Radha

Lambrecht

2021

SciPost Phys.

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First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO_22) terminated surfaces of finite slabs down to a monolayer, in remarkable contrast with the bulk band structure, which is stabilized by Li donating its electron to the CoO_22 layer forming a Co-d-t_{2g}^6d−t2g6 insulator. By mapping the first-principles computational results to a minimal tight-binding models corresponding to a non-chiral 3D generalization of the quadripartite Su-Schrieffer-Heeger (SSH4) model and symmetry analysis, we show that these surface states have topological origin.

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Electronic states realized by the interplay between Li diffusion and Co3+/Co4+ charge ordering in

Cited by 9 publications

References 48 publications

A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Optical response and band structure of LiCoO2 including electron-hole interaction effects

Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

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