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Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide

Yue Chen, Yubiao Niu, Chun Lin, Jiaxin Li, Yingbin Lin, GuiGui Xu, Richard Palmer Orcid Logo, Zhigao Huang

Chemical Engineering Journal, Volume: 399, Start page: 125708

Swansea University Authors: Yubiao Niu, Richard Palmer Orcid Logo

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DOI (Published version): 10.1016/j.cej.2020.125708

Abstract

Surface properties of cathode materials play important roles in the transport of lithium-ions/electrons and the formation of surface passivation layer. Optimizing the exposed crystal facets of cathode materials can promote the diffusion of lithium-ions and enhance cathode surface stability, which ma...

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Published in: Chemical Engineering Journal
ISSN: 1385-8947
Published: Elsevier BV 2020
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URI: https://cronfa.swan.ac.uk/Record/cronfa54502
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Optimizing the exposed crystal facets of cathode materials can promote the diffusion of lithium-ions and enhance cathode surface stability, which may ultimately dominate cathode&#x2019;s performance and stability in lithium-ion batteries. Here, polycrystalline LiCoO2 (LCO) thin films with (0003) and {101} preferred orientations were prepared as the well-defined model electrodes. In situ Current-Sensing Atomic Force Microscopy (CSAFM) was employed to investigate the lithium de-intercalation and electronic conductivity evolution of the (0003) and {101} facts in organic electrolyte at the nanoscale. It was found that the lithium deintercalation following a &#x201C;Li-rich core model&#x201D; in the LCO grains, and the LCO grains with (0003) crystal face show less conductivity than those with {101} faces. Moreover, X-ray Photoelectron Spectroscopy characterization of the charged electrode surface indicates that a denser surface passivation layer is formed on {101} than that on (0003) crystal faces. This is caused by the lower adsorption energy of decomposition molecule on {101} crystal faces and higher work function (due to the surface atomic structure) for {101} crystal faces, as confirmed by Density Functional Theory (DFT) and Kelvin probe force microscopy (KPFM) results. In addition, electrochemical measurements confirm that the thin film electrodes with {101} preferred orientation not only show smaller electrode polarization, but also more readily form a stable surface passivation layer compared with the (0003) preferred orientation. 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spelling 2020-08-16T11:17:49.9261821 v2 54502 2020-06-18 Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide c403a40f2acf2dc32e37b4555d19b4c0 Yubiao Niu Yubiao Niu true false 6ae369618efc7424d9774377536ea519 0000-0001-8728-8083 Richard Palmer Richard Palmer true false 2020-06-18 ACEM Surface properties of cathode materials play important roles in the transport of lithium-ions/electrons and the formation of surface passivation layer. Optimizing the exposed crystal facets of cathode materials can promote the diffusion of lithium-ions and enhance cathode surface stability, which may ultimately dominate cathode’s performance and stability in lithium-ion batteries. Here, polycrystalline LiCoO2 (LCO) thin films with (0003) and {101} preferred orientations were prepared as the well-defined model electrodes. In situ Current-Sensing Atomic Force Microscopy (CSAFM) was employed to investigate the lithium de-intercalation and electronic conductivity evolution of the (0003) and {101} facts in organic electrolyte at the nanoscale. It was found that the lithium deintercalation following a “Li-rich core model” in the LCO grains, and the LCO grains with (0003) crystal face show less conductivity than those with {101} faces. Moreover, X-ray Photoelectron Spectroscopy characterization of the charged electrode surface indicates that a denser surface passivation layer is formed on {101} than that on (0003) crystal faces. This is caused by the lower adsorption energy of decomposition molecule on {101} crystal faces and higher work function (due to the surface atomic structure) for {101} crystal faces, as confirmed by Density Functional Theory (DFT) and Kelvin probe force microscopy (KPFM) results. In addition, electrochemical measurements confirm that the thin film electrodes with {101} preferred orientation not only show smaller electrode polarization, but also more readily form a stable surface passivation layer compared with the (0003) preferred orientation. This work highlights the importance of cathode conductivity, and suggests that the LCO {101} facet atomic structure may thermodynamically promote the physical/chemical adsorption and decomposition of electrolyte. Journal Article Chemical Engineering Journal 399 125708 Elsevier BV 1385-8947 Lithium batteries, LiCoO2 thin-film electrode, Interface/surface compatibility, In situ current-sensing AFM 1 11 2020 2020-11-01 10.1016/j.cej.2020.125708 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University 2020-08-16T11:17:49.9261821 2020-06-18T10:52:19.5102085 Yue Chen 1 Yubiao Niu 2 Chun Lin 3 Jiaxin Li 4 Yingbin Lin 5 GuiGui Xu 6 Richard Palmer 0000-0001-8728-8083 7 Zhigao Huang 8 54502__17524__e41e45e9cf8e4fb2a7065031e83a7b37.pdf 54502.pdf 2020-06-18T10:55:57.2420699 Output 27843579 application/pdf Accepted Manuscript true 2021-06-02T00:00:00.0000000 © 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license. true English
title Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
spellingShingle Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
Yubiao Niu
Richard Palmer
title_short Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
title_full Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
title_fullStr Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
title_full_unstemmed Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
title_sort Insight into the intrinsic mechanism of improving electrochemical performance via constructing the preferred crystal orientation in lithium cobalt dioxide
author_id_str_mv c403a40f2acf2dc32e37b4555d19b4c0
6ae369618efc7424d9774377536ea519
author_id_fullname_str_mv c403a40f2acf2dc32e37b4555d19b4c0_***_Yubiao Niu
6ae369618efc7424d9774377536ea519_***_Richard Palmer
author Yubiao Niu
Richard Palmer
author2 Yue Chen
Yubiao Niu
Chun Lin
Jiaxin Li
Yingbin Lin
GuiGui Xu
Richard Palmer
Zhigao Huang
format Journal article
container_title Chemical Engineering Journal
container_volume 399
container_start_page 125708
publishDate 2020
institution Swansea University
issn 1385-8947
doi_str_mv 10.1016/j.cej.2020.125708
publisher Elsevier BV
document_store_str 1
active_str 0
description Surface properties of cathode materials play important roles in the transport of lithium-ions/electrons and the formation of surface passivation layer. Optimizing the exposed crystal facets of cathode materials can promote the diffusion of lithium-ions and enhance cathode surface stability, which may ultimately dominate cathode’s performance and stability in lithium-ion batteries. Here, polycrystalline LiCoO2 (LCO) thin films with (0003) and {101} preferred orientations were prepared as the well-defined model electrodes. In situ Current-Sensing Atomic Force Microscopy (CSAFM) was employed to investigate the lithium de-intercalation and electronic conductivity evolution of the (0003) and {101} facts in organic electrolyte at the nanoscale. It was found that the lithium deintercalation following a “Li-rich core model” in the LCO grains, and the LCO grains with (0003) crystal face show less conductivity than those with {101} faces. Moreover, X-ray Photoelectron Spectroscopy characterization of the charged electrode surface indicates that a denser surface passivation layer is formed on {101} than that on (0003) crystal faces. This is caused by the lower adsorption energy of decomposition molecule on {101} crystal faces and higher work function (due to the surface atomic structure) for {101} crystal faces, as confirmed by Density Functional Theory (DFT) and Kelvin probe force microscopy (KPFM) results. In addition, electrochemical measurements confirm that the thin film electrodes with {101} preferred orientation not only show smaller electrode polarization, but also more readily form a stable surface passivation layer compared with the (0003) preferred orientation. This work highlights the importance of cathode conductivity, and suggests that the LCO {101} facet atomic structure may thermodynamically promote the physical/chemical adsorption and decomposition of electrolyte.
published_date 2020-11-01T04:42:08Z
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score 11.096892

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