Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature

Tamilarasan Subramani; Kristina Lilova; Megan Householder; Shuhao Yang; James Lyons; Alexandra Navrotsky

doi:10.1016/j.gca.2022.11.003

Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature

Tamilarasan Subramani, Kristina Lilova, Megan Householder, Shuhao Yang, James Lyons, Alexandra Navrotsky

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

2 Scopus citations

Abstract

Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at bulk and nanoscale to understand their occurrence. Calorimetric measurements confirmed that wurtzite has a lower surface energy than sphalerite, which causes a reversal in phase stability at the nanoscale, with wurtzite energetically stable for particle size below 10 nm. Taking these surface energies into account, a simple model of the thermodynamics of the sphalerite - wurtzite transformation as a function of particle size and temperature can explain the occurrence of the zinc sulfide polymorphs in environments as diverse as ore bodies and planetary atmospheres.

Original language	English (US)
Pages (from-to)	99-107
Number of pages	9
Journal	Geochimica et Cosmochimica Acta
Volume	340
DOIs	https://doi.org/10.1016/j.gca.2022.11.003
State	Published - Jan 1 2023

Keywords

Exoplanets atmosphere
Nano sphalerite – wurtzite transformation
Stability crossover
Sulfide ores
Surface energy

ASJC Scopus subject areas

Geochemistry and Petrology

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10.1016/j.gca.2022.11.003

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title = "Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature",

abstract = "Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at bulk and nanoscale to understand their occurrence. Calorimetric measurements confirmed that wurtzite has a lower surface energy than sphalerite, which causes a reversal in phase stability at the nanoscale, with wurtzite energetically stable for particle size below 10 nm. Taking these surface energies into account, a simple model of the thermodynamics of the sphalerite - wurtzite transformation as a function of particle size and temperature can explain the occurrence of the zinc sulfide polymorphs in environments as diverse as ore bodies and planetary atmospheres.",

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T1 - Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature

AU - Subramani, Tamilarasan

AU - Lilova, Kristina

AU - Householder, Megan

AU - Yang, Shuhao

AU - Lyons, James

AU - Navrotsky, Alexandra

PY - 2023/1/1

Y1 - 2023/1/1

N2 - Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at bulk and nanoscale to understand their occurrence. Calorimetric measurements confirmed that wurtzite has a lower surface energy than sphalerite, which causes a reversal in phase stability at the nanoscale, with wurtzite energetically stable for particle size below 10 nm. Taking these surface energies into account, a simple model of the thermodynamics of the sphalerite - wurtzite transformation as a function of particle size and temperature can explain the occurrence of the zinc sulfide polymorphs in environments as diverse as ore bodies and planetary atmospheres.

AB - Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at bulk and nanoscale to understand their occurrence. Calorimetric measurements confirmed that wurtzite has a lower surface energy than sphalerite, which causes a reversal in phase stability at the nanoscale, with wurtzite energetically stable for particle size below 10 nm. Taking these surface energies into account, a simple model of the thermodynamics of the sphalerite - wurtzite transformation as a function of particle size and temperature can explain the occurrence of the zinc sulfide polymorphs in environments as diverse as ore bodies and planetary atmospheres.

KW - Exoplanets atmosphere

KW - Nano sphalerite – wurtzite transformation

KW - Stability crossover

KW - Sulfide ores

KW - Surface energy

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JO - Geochimica et Cosmochimica Acta

JF - Geochimica et Cosmochimica Acta

ER -

Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature

Abstract

Keywords

ASJC Scopus subject areas

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