High pressure chemical reactivity and structural study of the Na-P and Li-P systems

River A. Leversee; Kristen Rode; Eran Greenberg; Vitali B. Prakapenka; Jesse S. Smith; Martin Kunz; Chris J. Pickard; Elissaios Stavrou

doi:10.1039/d0ta08563d

High pressure chemical reactivity and structural study of the Na-P and Li-P systems

River A. Leversee, Kristen Rode, Eran Greenberg, Vitali B. Prakapenka, Jesse S. Smith, Martin Kunz, Chris J. Pickard^*, Elissaios Stavrou^*

^*Corresponding author for this work

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

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Abstract

The Na-P and Li-P chemical systems were studied under pressure using synchrotron X-ray diffraction in a diamond anvil cell up to 20 GPa, combined with the AIRSS ab initio random structure searching technique. The results reveal an enhanced reactivity of both alkali metals with phosphorous at slightly elevated pressures. This enables the synthesis of Li3P and Na3P at room temperature (RT) starting from element precursors, bypassing the established chemical synthesis methods. Both compounds undergo a pressure-induced phase transition from the hexagonal Na3As-type structure (stable at ambient conditions) towards a Fm3m (FCC) structure that remains stable up to 20 GPa. Attempts to synthesize compounds with higher alkali metal content (such as Li5P) using high-temperature and -pressure conditions (up to 2000+ K and 30 GPa), inspired by recent theoretical predictions, were not successful.

Original language	English
Pages (from-to)	21797-21803
Number of pages	7
Journal	Journal of Materials Chemistry A
Volume	8
Issue number	41
DOIs	https://doi.org/10.1039/d0ta08563d
State	Published - 7 Nov 2020
Externally published	Yes

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title = "High pressure chemical reactivity and structural study of the Na-P and Li-P systems",

abstract = "The Na-P and Li-P chemical systems were studied under pressure using synchrotron X-ray diffraction in a diamond anvil cell up to 20 GPa, combined with the AIRSS ab initio random structure searching technique. The results reveal an enhanced reactivity of both alkali metals with phosphorous at slightly elevated pressures. This enables the synthesis of Li3P and Na3P at room temperature (RT) starting from element precursors, bypassing the established chemical synthesis methods. Both compounds undergo a pressure-induced phase transition from the hexagonal Na3As-type structure (stable at ambient conditions) towards a Fm3m (FCC) structure that remains stable up to 20 GPa. Attempts to synthesize compounds with higher alkali metal content (such as Li5P) using high-temperature and -pressure conditions (up to 2000+ K and 30 GPa), inspired by recent theoretical predictions, were not successful.",

author = "Leversee, {River A.} and Kristen Rode and Eran Greenberg and Prakapenka, {Vitali B.} and Smith, {Jesse S.} and Martin Kunz and Pickard, {Chris J.} and Elissaios Stavrou",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",

year = "2020",

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doi = "10.1039/d0ta08563d",

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TY - JOUR

T1 - High pressure chemical reactivity and structural study of the Na-P and Li-P systems

AU - Leversee, River A.

AU - Rode, Kristen

AU - Greenberg, Eran

AU - Prakapenka, Vitali B.

AU - Smith, Jesse S.

AU - Kunz, Martin

AU - Pickard, Chris J.

AU - Stavrou, Elissaios

PY - 2020/11/7

Y1 - 2020/11/7

N2 - The Na-P and Li-P chemical systems were studied under pressure using synchrotron X-ray diffraction in a diamond anvil cell up to 20 GPa, combined with the AIRSS ab initio random structure searching technique. The results reveal an enhanced reactivity of both alkali metals with phosphorous at slightly elevated pressures. This enables the synthesis of Li3P and Na3P at room temperature (RT) starting from element precursors, bypassing the established chemical synthesis methods. Both compounds undergo a pressure-induced phase transition from the hexagonal Na3As-type structure (stable at ambient conditions) towards a Fm3m (FCC) structure that remains stable up to 20 GPa. Attempts to synthesize compounds with higher alkali metal content (such as Li5P) using high-temperature and -pressure conditions (up to 2000+ K and 30 GPa), inspired by recent theoretical predictions, were not successful.

AB - The Na-P and Li-P chemical systems were studied under pressure using synchrotron X-ray diffraction in a diamond anvil cell up to 20 GPa, combined with the AIRSS ab initio random structure searching technique. The results reveal an enhanced reactivity of both alkali metals with phosphorous at slightly elevated pressures. This enables the synthesis of Li3P and Na3P at room temperature (RT) starting from element precursors, bypassing the established chemical synthesis methods. Both compounds undergo a pressure-induced phase transition from the hexagonal Na3As-type structure (stable at ambient conditions) towards a Fm3m (FCC) structure that remains stable up to 20 GPa. Attempts to synthesize compounds with higher alkali metal content (such as Li5P) using high-temperature and -pressure conditions (up to 2000+ K and 30 GPa), inspired by recent theoretical predictions, were not successful.

UR - http://www.scopus.com/inward/record.url?scp=85094894325&partnerID=8YFLogxK

U2 - 10.1039/d0ta08563d

DO - 10.1039/d0ta08563d

M3 - 文章

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SN - 2050-7488

VL - 8

SP - 21797

EP - 21803

JO - Journal of Materials Chemistry A

JF - Journal of Materials Chemistry A

IS - 41

ER -

High pressure chemical reactivity and structural study of the Na-P and Li-P systems

Abstract

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