Structural stability and ionic transport property of NaMPO4 (M = V, Cr

In order to explore the effects of synthetic conditions on the relative phase stabilities, temperature- and pressure-dependent free energies of olivine and maricite NaMPO4 are calculated.

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Topochemical Synthesis of Sodium Metal Phosphate Olivines for

A full range of solid solution behavior was observed for olivine Na 1–x Mn 0.5 Fe 0.5 PO 4, in contrast to that of LiMPO 4 (M = Fe, Mn) olivine materials, and is ascribed to ion size effects. The

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Olivine NaMn0.66Fe0.34PO4 as a Cathode Material for

NaFePO 4 exists as two distinct polymorphs, triphylite (i. e.,

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Olivine NaMn0.66Fe0.34PO4 as a Cathode Material for Advanced

NaFePO 4 exists as two distinct polymorphs, triphylite (i. e., olivine) and maricite. 16 To date, the triphylite phase was not reported by direct synthesis at neither high nor moderate

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Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates

ions within the olivine phosphates cannot be fully described using only single-particle calculations. This method provides a means to analyse the collective dynamics of many particles and connect

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The Proceedings of SAIP2017

In this study, we investigate the structural, thermodynamic, electronic and mechanical properties for the olivine NaMPO4 (M=Fe, Co, Mn) structures to determine their stability and competences...

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A first-principle study of NaMPO4 (M = Mn, Fe, Co, Ni) possible novel

These materials have been extensively studied in their most common olivine structures: maricite and triphylite.

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Nampo4 triphylite and olivine phases

Nampo4 triphylite and olivine phases The shooter method is a modification of the shooter algorithm used in transition path sampling, which is employed here to systematically perturbate points in phase

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Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates

Amongst this family of compounds, triphylite NaFePO 4 emerged as the most promising material owing to its high theoretical capacity (154 mAh g −1). Unlike LiFePO 4, NaFePO 4 exists in

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Structural, Electronic, Mechanical, and Thermodynamic Properties of

The impact of Na atom deintercalation on olivine NaMnPO4 was investigated in a first-principle study for prospective use as cathode materials in Na-ion batteries.

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Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates (M

Compared to their lithium analogues, NaMPO4 materials exist in two structures, maricite and olivine. Their implementation calls for an in-depth investigation of diffusion/conduction

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