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Electrochemical Effect of Various Si/Zr Molar Ratios for Anode Materials in Lithium-ion Batteries

Choy, K; Choi, D; (2017) Electrochemical Effect of Various Si/Zr Molar Ratios for Anode Materials in Lithium-ion Batteries. Dalton Transactions , 46 (41) pp. 14226-14233. 10.1039/C7DT01120B. Green open access

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Abstract

The aim of this study was to unveil the mechanisms through electrochemical analysis and to understand the effect of various Si/Zr molar ratios (Si/Zr=0.5, 1, and 2) on the performance of SiO2/ZrO2 (SSZ) anode materials with these mechanisms. The 2-SSZ (Si/Zr=2) electrode had a much higher capacity than that of the 0.5- or 1-SSZ (Si/Zr=0.5 or 1) electrode. It exhibited superior cycling performance when compared to commercial graphite (theoretical capacity of 372 mAh g-1). The 2-SSZ had a capacity of 461 mAh g-1 at a high current density of 100 mA g-1 over 30 cycles. These characteristics are due to the effects from each of the different reversible materials formed by the SSZs. Zr2Si and Zr5Si3, ZrSi, or ZrSi2 were formed by the 0.5-, 1-, and 2-SSZ, respectively, which would affect the reversible storage capacity. ZrSi2 provided an increase in the possible reaction area for the guest species (lithium ions) at the empty interstitial site in the host materials as well as a large space for accommodating a volume change. It was supportive by maintaining the lattice constant and reducing the ratio of the structure distortion. Furthermore, the 2-SSZ structure consisted of an overall amorphous structure with a crystalline structure related to the Zr-O-Si bond unlike the 0.5- and 1-SSZ which had an overall crystalline structure. Such combined structure of 2-SSZ was advantageous in providing a good capacity due to the amorphous structure and an efficient pathway for electron transport and little pulverization due to the crystalline structure. This structure led to its superior performance and long-life span.

Type: Article
Title: Electrochemical Effect of Various Si/Zr Molar Ratios for Anode Materials in Lithium-ion Batteries
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/C7DT01120B
Publisher version: http://dx.doi.org/10.1039/C7DT01120B
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Si/Zr, Lithium ion battery, batteries, SiO2, ZrO2
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office > Institute for Materials Discovery
URI: https://discovery.ucl.ac.uk/id/eprint/1573566
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