Understanding the Electrochemical Mechanisms Induced by Gradient Mg2+ Distribution of Na-Rich Na3+ xV2- xMgx(PO4)3/C for Sodium Ion Batteries

Hui Li; Hanmei Tang; Chuze Ma; Ying Bai; Judith Alvarado; Balachandran Radhakrishnan; Shyue Ping Ong; Feng Wua; Ying Shirley Meng; Chuan Wu

doi:10.1021/acs.chemmater.7b03903

Understanding the Electrochemical Mechanisms Induced by Gradient Mg²⁺ Distribution of Na-Rich Na_{3+ x}V_{2- x}Mg_x(PO₄)₃/C for Sodium Ion Batteries

Hui Li, Hanmei Tang, Chuze Ma, Ying Bai^*, Judith Alvarado, Balachandran Radhakrishnan, Shyue Ping Ong, Feng Wua, Ying Shirley Meng, Chuan Wu

^*Corresponding author for this work

School of Material Science and Engineering

Research output: Contribution to journal › Article › peer-review

119 Citations (Scopus)

Abstract

Metal-ion doping can improve the electrochemical performance of Na₃V₂(PO₄)₃. However, the reason for the enhanced electrochemical performance and the effects of cation doping on the structure of Na₃V₂(PO₄)₃ have yet been probed. Herein, Mg²⁺ is doped into Na₃V₂(PO₄)₃/C according to the first-principles calculation. The results indicate that Mg²⁺ prefers to reside in the V site and an extra electrochemical active Na⁺ is introduced to the Na₃V₂(PO₄)₃/C crystal to maintain the charge balance. The distribution of Mg²⁺ in the particle of Na₃V₂(PO₄)₃/C is further studied by electrochemical impedance spectroscopy. We find that the highest distribution of Mg²⁺ on the surface of the particles leads to facile surface electrochemical reactions for Mg²⁺-doped samples, especially at high rates.

Original language	English
Pages (from-to)	2498-2505
Number of pages	8
Journal	Chemistry of Materials
Volume	30
Issue number	8
DOIs	https://doi.org/10.1021/acs.chemmater.7b03903
Publication status	Published - 24 Apr 2018

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title = "Understanding the Electrochemical Mechanisms Induced by Gradient Mg2+ Distribution of Na-Rich Na3+ xV2- xMgx(PO4)3/C for Sodium Ion Batteries",

abstract = "Metal-ion doping can improve the electrochemical performance of Na3V2(PO4)3. However, the reason for the enhanced electrochemical performance and the effects of cation doping on the structure of Na3V2(PO4)3 have yet been probed. Herein, Mg2+ is doped into Na3V2(PO4)3/C according to the first-principles calculation. The results indicate that Mg2+ prefers to reside in the V site and an extra electrochemical active Na+ is introduced to the Na3V2(PO4)3/C crystal to maintain the charge balance. The distribution of Mg2+ in the particle of Na3V2(PO4)3/C is further studied by electrochemical impedance spectroscopy. We find that the highest distribution of Mg2+ on the surface of the particles leads to facile surface electrochemical reactions for Mg2+-doped samples, especially at high rates.",

author = "Hui Li and Hanmei Tang and Chuze Ma and Ying Bai and Judith Alvarado and Balachandran Radhakrishnan and Ong, {Shyue Ping} and Feng Wua and Meng, {Ying Shirley} and Chuan Wu",

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doi = "10.1021/acs.chemmater.7b03903",

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AU - Li, Hui

AU - Tang, Hanmei

AU - Ma, Chuze

AU - Bai, Ying

AU - Alvarado, Judith

AU - Radhakrishnan, Balachandran

AU - Ong, Shyue Ping

AU - Wua, Feng

AU - Meng, Ying Shirley

AU - Wu, Chuan

PY - 2018/4/24

Y1 - 2018/4/24

N2 - Metal-ion doping can improve the electrochemical performance of Na3V2(PO4)3. However, the reason for the enhanced electrochemical performance and the effects of cation doping on the structure of Na3V2(PO4)3 have yet been probed. Herein, Mg2+ is doped into Na3V2(PO4)3/C according to the first-principles calculation. The results indicate that Mg2+ prefers to reside in the V site and an extra electrochemical active Na+ is introduced to the Na3V2(PO4)3/C crystal to maintain the charge balance. The distribution of Mg2+ in the particle of Na3V2(PO4)3/C is further studied by electrochemical impedance spectroscopy. We find that the highest distribution of Mg2+ on the surface of the particles leads to facile surface electrochemical reactions for Mg2+-doped samples, especially at high rates.

AB - Metal-ion doping can improve the electrochemical performance of Na3V2(PO4)3. However, the reason for the enhanced electrochemical performance and the effects of cation doping on the structure of Na3V2(PO4)3 have yet been probed. Herein, Mg2+ is doped into Na3V2(PO4)3/C according to the first-principles calculation. The results indicate that Mg2+ prefers to reside in the V site and an extra electrochemical active Na+ is introduced to the Na3V2(PO4)3/C crystal to maintain the charge balance. The distribution of Mg2+ in the particle of Na3V2(PO4)3/C is further studied by electrochemical impedance spectroscopy. We find that the highest distribution of Mg2+ on the surface of the particles leads to facile surface electrochemical reactions for Mg2+-doped samples, especially at high rates.

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Understanding the Electrochemical Mechanisms Induced by Gradient Mg²⁺ Distribution of Na-Rich Na_{3+ x}V_{2- x}Mg_x(PO₄)₃/C for Sodium Ion Batteries

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