Synthesis and Crystal Structure of Maricite and Sodium Iron(III) Hydroxyphosphate

Bridson, John N.; Quinlan, Sean; Tremaine, Peter R.

doi:10.1021/cm9704847

Cited by 83 publications

(57 citation statements)

References 9 publications

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“…Maricite, as opposed to olivine, is the thermodynamically stable structure for NaFePO 4 . 49,50 The maricite structure is similar to the olivine structure, except that the alkali occupies the M(2) site, and transition metal occupies the M(1) sites. Generally, they are of less interest for battery applications given that there are no obvious channels for fast alkali diffusion in these materials, unlike in the olivine structure.…”

Section: Structure Selectionmentioning

confidence: 99%

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Ong

Chevrier

Hautier

et al. 2011

Energy Environ. Sci.

1,309

1,046

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To evaluate the potential of Na-ion batteries, we contrast in this work the difference between Na-ion and Li-ion based intercalation chemistries in terms of three key battery properties -voltage, phase stability and diffusion barriers. The compounds investigated comprise the layered AMO 2 and AMS 2 structures, the olivine and maricite AMPO 4 structures, and the NA-SICON A 3 V 2 (PO 4 ) 3 structures. The calculated Na voltages for the compounds investigated are 0.18-0.57 V lower than that of the corresponding Li voltages, in agreement with previous experimental data. We believe the observed lower voltages for Na compounds are predominantly a cathodic effect related to the much smaller energy gain from inserting Na into the host structure compared to inserting Li. We also found a relatively strong dependence of battery properties with structural features. In general, the difference between the Na and Li voltage of the same compound, ∆V Na-Li , is less negative for the maricite structures preferred by Na, and * To whom correspondence should be addressed 1 more negative for the olivine structures preferred by Li. The layered compounds have the most negative ∆V Na-Li . In terms of phase stability, we found that open structures, such as the layered and NASICON structures that are better able to accommodate the larger Na + ion generally have both Na and Li versions of the same compound. For the close-packed AMPO 4 structures, our results show that Na generally prefers the maricite structure, while Li prefers the olivine structure, in agreement with previous experimental work. We also found surprising evidence that the barriers for Na + migration can potentially be lower than that for Li + migration in the layered structures. Overall, our findings indicate that Na-ion systems can be competitive with Li-ion systems.

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Section: Structure Selectionmentioning

confidence: 99%

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Ong

Chevrier

Hautier

et al. 2011

Energy Environ. Sci.

1,309

1,046

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“…[59][60][61] Unlike LiMPO 4 , NaMPO 4 tends to prefer the maricite structure, which is similar to the olivine structure but with the alkali and transition metal swapping atomic positions. 62 However, the maricite structure is uninteresting for battery applications given the lack of viable alkali diffusion pathways in the structure. Ong et al 11 previously performed a comparison of the alkali migration barriers in the olivine and layered structures using NEB calculations (Figure 7).…”

Section: Polyanion Oxidesmentioning

confidence: 99%

Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

Deng

Ong

2016

NPG Asia Mater

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The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. The scope of this review includes the monovalent lithium-and sodium-ion chemistries that are currently of the most commercial interest. NPG Asia Materials (2016) 8, e254; doi:10.1038/am.2016.7; published online 25 March 2016 INTRODUCTIONThe facile conduction of alkali ions in a crystal is of critical importance in energy storage. Today, the dominant form of energy storage in consumer electronics is the rechargeable lithium-ion (Li-ion) battery, 1-5 a device that functions entirely on the basis of the reversible transport of Li + ions. With one of the highest energy densities of known energy storage technologies, Li-ion batteries are finding increasingly large-scale applications in electrified transportation and grid storage. In recent years, there has also been a resurgence of interest in rechargeable sodium-ion (Na-ion) batteries, 6-12 which function on the same basic principle but with Na + instead of Li + because of concerns regarding the abundance and cost of lithium. Figure 1 shows a representation of a rechargeable alkali-ion battery. The typical electrode in an alkali-ion battery is an intercalation compound, which, as the name implies, stores alkali ions by inserting them into its crystal structure in a topotactic manner. During discharge, A + ions are transported from the anode, through the electrolyte and into the cathode. The reverse happens during charge. Throughout this review, we will adopt the customary terminology of defining the 'cathode' as the positive electrode during discharge, even though the formal definition of the cathode changes depending on whether the charging or discharging process is being referred to. Current cathodes are typically transition metal oxides, and the insertion/removal of each A + in the cathode is accompanied by the concomitant reduction/oxidation of a transition metal ion to accommodate the compensating insertion/removal of an electron. Graphitic carbon is the most common anode.The performance of a rechargeable alkali-ion battery depends crucially on the ease with which alkali ions move in the host crystal of the cathode and anode, in the electrolyte, and in the electrodeelectrolyte interface. Poor alkali transport in any part of the battery

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“…(5,6) Maricite was prepared by the hydrothermal decomposition of aqueous iron(III) nitrilotriacetate. The reaction was carried out at T = 498 K for 7 d, followed by in situ filtration at the reaction temperature.…”

Section: Materials and Sample Preparationmentioning

confidence: 99%

“…(4) Sodium iron(III) hydroxy phosphate is a nonstoichiometric crystalline solid, Na 3 Fe(PO 4 ) 2 · {Na 2(1−x) H 2x O}, with typical values of x in the range 0.2 to 0.4. (5) The main structural feature of SIHP is a chain of iron(III) ions linked by bridging oxygen atoms and phosphate groups. The iron phosphate chains are held together by sodium ions in the ratio 3Na : Fe : 2(PO 4 ).…”

Section: Introductionmentioning

confidence: 99%

“…Maricite can be recovered from pressure vessel experiments and power station corrosion deposits without special sampling techniques. (5,6) The SIHP undergoes a reversible transition to haematite and aqueous sodium phosphate in the presence of liquid water at temperatures below about T = 453 K, and must be recovered by in situ sampling methods. (1-3, 5, 6) Thermodynamic data for both compounds are needed to model the interactions between aqueous sodium phosphate and iron oxides at the high temperatures encountered in modern high-pressure steam generator systems.…”

Section: Introductionmentioning

confidence: 99%

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Enthalpies of formation and heat capacity functions for maricite,NaFePO4(cr), and sodium iron(III) hydroxy phosphate,Na3Fe(PO4)2· (Na4/3H2/3O)(cr)

Tremaine

Xiao

1999

The Journal of Chemical Thermodynamics

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Synthesis and Crystal Structure of Maricite and Sodium Iron(III) Hydroxyphosphate

Cited by 83 publications

References 9 publications

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

Enthalpies of formation and heat capacity functions for maricite,NaFePO4(cr), and sodium iron(III) hydroxy phosphate,Na3Fe(PO4)2· (Na4/3H2/3O)(cr)

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