Understanding rhombohedral iron hexacyanoferrate with three different sodium positions for high power and long stability sodium-ion battery

Wang, W; Hu, Z; Yan, Z; Peng, J; Chen, M; Lai, W; Gu, QF; Chou, SL; Liu, HK; Dou, SX

Understanding rhombohedral iron hexacyanoferrate with three different sodium positions for high power and long stability sodium-ion battery

Wang, W Hu, Z Yan, Z Peng, J Chen, M Lai, W

Gu, QF Chou, SL Liu, HK Dou, SX

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Publisher:: Elsevier BV
Publication Type:: Journal Article
Citation:: Energy Storage Materials, 2020, 30, pp. 42-51
Issue Date:: 2020-09-01

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Field	Value	Language
dc.contributor.author	Wang, W
dc.contributor.author	Hu, Z
dc.contributor.author	Yan, Z
dc.contributor.author	Peng, J
dc.contributor.author	Chen, M
dc.contributor.author	Lai, W https://orcid.org/0000-0002-8685-9662
dc.contributor.author	Gu, QF
dc.contributor.author	Chou, SL
dc.contributor.author	Liu, HK
dc.contributor.author	Dou, SX
dc.date.accessioned	2021-03-07T22:59:35Z
dc.date.available	2021-03-07T22:59:35Z
dc.date.issued	2020-09-01
dc.identifier.citation	Energy Storage Materials, 2020, 30, pp. 42-51
dc.identifier.issn	2405-8297
dc.identifier.issn	2405-8297
dc.identifier.uri	http://hdl.handle.net/10453/146875
dc.description.abstract	© 2020 Elsevier B.V. Sodium iron hexacyanoferrate (NaFeHCF) has been considered as a potential cathode for sodium-ion batteries owing to its low-cost and easily prepared procedure. However, it is still challenging to achieve long cyclic stability and superior rate capability, and the sodium storage mechanism of sodium-rich NaFeHCF is still elusive. Herein, a sodium-rich NaFeHCF with rhombohedral structure is presented with excellent electrochemical performances within 2.0–4.2 V. The specific capacity of ~115 mA h g−1 is obtained by utilizing two plateaus around 2.9 and 4.06 V, respectively. Remarkable rate performance from 10 to 4000 mA g−1 and 1000 cycles with high capacity retention is achieved as well. Synchrotron powder X-ray diffraction (PXRD) and structural refinement reveals that sodium-ions occupy three different sites (interstitial, face and edge) in rhombohedral unit cell, which contribute different capacities on different plateaus during Na+ extractions. Moreover, the rhombohedral structure is well-maintained after long-term Na+ extractions/insertions and reversible phase transitions with small volume variation are observed through in-situ synchrotron PXRD. The kinetic properties of Na+ in rhombohedral unit cell are identified by ab-initio molecular dynamics method and density functional theory calculations, which indicate that Na+ transport on three-dimensional diffusion paths, thus enabling the outstanding rate performance of NaFeHCF.
dc.language	en
dc.publisher	Elsevier BV
dc.relation.ispartof	Energy Storage Materials
dc.relation.isbasedon	10.1016/j.ensm.2020.04.027
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject	0904 Chemical Engineering, 0906 Electrical and Electronic Engineering
dc.title	Understanding rhombohedral iron hexacyanoferrate with three different sodium positions for high power and long stability sodium-ion battery
dc.type	Journal Article
utslib.citation.volume	30
utslib.for	0904 Chemical Engineering
utslib.for	0906 Electrical and Electronic Engineering
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney
utslib.copyright.status	closed_access	*
dc.date.updated	2021-03-07T22:59:33Z
pubs.publication-status	Published
pubs.volume	30

Abstract:

© 2020 Elsevier B.V. Sodium iron hexacyanoferrate (NaFeHCF) has been considered as a potential cathode for sodium-ion batteries owing to its low-cost and easily prepared procedure. However, it is still challenging to achieve long cyclic stability and superior rate capability, and the sodium storage mechanism of sodium-rich NaFeHCF is still elusive. Herein, a sodium-rich NaFeHCF with rhombohedral structure is presented with excellent electrochemical performances within 2.0–4.2 V. The specific capacity of ~115 mA h g−1 is obtained by utilizing two plateaus around 2.9 and 4.06 V, respectively. Remarkable rate performance from 10 to 4000 mA g−1 and 1000 cycles with high capacity retention is achieved as well. Synchrotron powder X-ray diffraction (PXRD) and structural refinement reveals that sodium-ions occupy three different sites (interstitial, face and edge) in rhombohedral unit cell, which contribute different capacities on different plateaus during Na+ extractions. Moreover, the rhombohedral structure is well-maintained after long-term Na+ extractions/insertions and reversible phase transitions with small volume variation are observed through in-situ synchrotron PXRD. The kinetic properties of Na+ in rhombohedral unit cell are identified by ab-initio molecular dynamics method and density functional theory calculations, which indicate that Na+ transport on three-dimensional diffusion paths, thus enabling the outstanding rate performance of NaFeHCF.

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