Fundamental understanding of high-capacity lithium-excess cathodes with disordered rock salt structure

doi:10.1016/j.jmst.2020.07.041

Abstract

Abstract:

As a new class of lithium rich cathodes, disordered rock-salt cathodes have been of primary interest, because of their ability to deliver a promisingly high capacity up to 300 mA h/g. Nevertheless, some fundamental issues are yet to be fully understood and a comprehensive mastering of their solid-state chemistry, kinetics and thermal stability is required. Here, we select a high capacity cation-disordered positive electrode- Li_1.2Ni_0.4Nb_0.4O₂ as a model compound to study intrinsic reaction mechanism, including charge compensation mechanism, kinetics, thermal stability, and structural evolution. By combining soft and hard X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS) with operando and ex-situ differential scanning calorimetry (DSC), galvanostatic intermittent titration technique (GITT), cyclic voltammetry (CV), and X-ray diffraction (XRD), we present holistic information on disordered rock-salt cathode. This work provides beneficial insights into designing and tailoring new positive electrodes with disordered rock-salt structure.

Key words: Salt-rock structure, Hard/soft XAS, In-situ DSC, Structural evolution

Hao Lin, Beatriz Moreno, Kamil Kucuk, Sensen Zhang, Shankar Aryal, Zheng Li, Carlo U. Segre, Jassiel Rodriguez, Dhanya Puthusseri, Lirong Cai, Xuechen Jiao, Vilas G. Pol. Fundamental understanding of high-capacity lithium-excess cathodes with disordered rock salt structure[J]. J. Mater. Sci. Technol., 2021, 74: 60-68.

Figures/Tables 9

Fig. 1. (a) Powder X-ray diffraction pattern and (b) SEM image of as-prepared LNNO.

Fig. 2. Electrochemical performance of LNNO. Voltage-capacity profiles of the samples (a) without milling at the rate of 10 mA/g between 1.0-4.8 V at room temperature, (b) with ball milling with carbon black at the rate of 10 mA/g between 1.0-4.8 V at room temperature, (c) with ball milling with carbon black at the rate of 10 mA/g between 1.5-4.8 V at 60 °C.

Fig. 3. K-edge XANES data for (a) Ni, (b) Nb of LNNO.

Fig. 4. Soft XAS spectra for O K-edge in (a) PEY mode, (b) TEY mode, (c) FY mode.

Fig. 5. LNNO XPS spectra of (a) O 1s, (b) Ni 2p, (c) Nb 3d.

Fig. 6. Cyclic voltammogram of LNNO at a scan rate of 5 mV/min.

Fig. 7. LNNO structural evolution during the cycling process. (a) Full XRD patterns; (b) the partial enlarged detail of (002).

Fig. 8. GITT with a 15 mA/g charge/discharge current density and a time interval of 0.5 h.

Fig. 9. Heat flow curve during one cycle process from an operando experiment.

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