A Study of Cu Doping Effects in P2-Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 Layered Cathodes for Sodium-Ion Batteries

Yichao Wang; Sooran Kim; Jingyu Lu; Guangyuan Feng; Xin Li

doi:10.1002/batt.201900172

A Study of Cu Doping Effects in P2-Na_0.75Mn_0.6Fe_0.2(Cu_xNi_0.2-x)O₂ Layered Cathodes for Sodium-Ion Batteries

Yichao Wang, Sooran Kim, Jingyu Lu, Guangyuan Feng, Xin Li

Harvard University

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

23 Scopus citations

Abstract

Layered sodium metal oxide cathodes have much broader choice of transition metal elements than the Li counterparts. A reversible Cu^2+/3+ redox couple has recently been introduced in such Na cathodes. To study the role of Cu, here P2-type layered Na_0.75Mn_0.6Fe_0.2(Cu_xNi_0.2-x)O₂ compounds have been designed, synthesized and investigated. It shows the high initial capacity of 206 mAh/g and good capacity retention. Reversible oxygen redox activity is observed in our experiments. Our DFT calculations suggest that Cu can stabilize the oxygen redox by modifying the electronic structure together with Fe at high voltages. In addition, the strong P′2 transition observed at low voltages is induced by Jahn-Teller active Cu²⁺ with two competing effects of enhanced Na ion diffusivity and reduced electronic conductivity.

Original language	English
Pages (from-to)	376-387
Number of pages	12
Journal	Batteries and Supercaps
Volume	3
Issue number	4
DOIs	https://doi.org/10.1002/batt.201900172
State	Published - 1 Apr 2020

Keywords

Cu doping
diffusion
Jahn-Teller distortion
oxygen redox
sodium-ion battery

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title = "A Study of Cu Doping Effects in P2-Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 Layered Cathodes for Sodium-Ion Batteries",

abstract = "Layered sodium metal oxide cathodes have much broader choice of transition metal elements than the Li counterparts. A reversible Cu2+/3+ redox couple has recently been introduced in such Na cathodes. To study the role of Cu, here P2-type layered Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 compounds have been designed, synthesized and investigated. It shows the high initial capacity of 206 mAh/g and good capacity retention. Reversible oxygen redox activity is observed in our experiments. Our DFT calculations suggest that Cu can stabilize the oxygen redox by modifying the electronic structure together with Fe at high voltages. In addition, the strong P′2 transition observed at low voltages is induced by Jahn-Teller active Cu2+ with two competing effects of enhanced Na ion diffusivity and reduced electronic conductivity.",

keywords = "Cu doping, diffusion, Jahn-Teller distortion, oxygen redox, sodium-ion battery",

author = "Yichao Wang and Sooran Kim and Jingyu Lu and Guangyuan Feng and Xin Li",

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T1 - A Study of Cu Doping Effects in P2-Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 Layered Cathodes for Sodium-Ion Batteries

AU - Wang, Yichao

AU - Kim, Sooran

AU - Lu, Jingyu

AU - Feng, Guangyuan

AU - Li, Xin

PY - 2020/4/1

Y1 - 2020/4/1

N2 - Layered sodium metal oxide cathodes have much broader choice of transition metal elements than the Li counterparts. A reversible Cu2+/3+ redox couple has recently been introduced in such Na cathodes. To study the role of Cu, here P2-type layered Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 compounds have been designed, synthesized and investigated. It shows the high initial capacity of 206 mAh/g and good capacity retention. Reversible oxygen redox activity is observed in our experiments. Our DFT calculations suggest that Cu can stabilize the oxygen redox by modifying the electronic structure together with Fe at high voltages. In addition, the strong P′2 transition observed at low voltages is induced by Jahn-Teller active Cu2+ with two competing effects of enhanced Na ion diffusivity and reduced electronic conductivity.

AB - Layered sodium metal oxide cathodes have much broader choice of transition metal elements than the Li counterparts. A reversible Cu2+/3+ redox couple has recently been introduced in such Na cathodes. To study the role of Cu, here P2-type layered Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 compounds have been designed, synthesized and investigated. It shows the high initial capacity of 206 mAh/g and good capacity retention. Reversible oxygen redox activity is observed in our experiments. Our DFT calculations suggest that Cu can stabilize the oxygen redox by modifying the electronic structure together with Fe at high voltages. In addition, the strong P′2 transition observed at low voltages is induced by Jahn-Teller active Cu2+ with two competing effects of enhanced Na ion diffusivity and reduced electronic conductivity.

KW - Cu doping

KW - diffusion

KW - Jahn-Teller distortion

KW - oxygen redox

KW - sodium-ion battery

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DO - 10.1002/batt.201900172

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SN - 2566-6223

VL - 3

SP - 376

EP - 387

JO - Batteries and Supercaps

JF - Batteries and Supercaps

IS - 4

ER -

A Study of Cu Doping Effects in P2-Na_0.75Mn_0.6Fe_0.2(Cu_xNi_0.2-x)O₂ Layered Cathodes for Sodium-Ion Batteries

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