Computational Investigation of the Thermoelectric Performance of Environmentally Friendly and Earth-Abundant SrZn2S2O Article Swipe
Bi, Shipeng
,
Brlec, Katarina
,
Squires, Alexander
,
Scanlon, David
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.5281/zenodo.17709519
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.5281/zenodo.17709519
Thermoelectric (TE) materials enable the direct conversion between heat and electricity, allowing efficient recovery of waste heat, which accounts for nearly 50% of global energy consumption. Therefore, TE materials hold great potential for applications in waste heat recovery and sustainable energy technologies. SrZn2S2O, composed of earth-abundant, low-toxicity elements, containing heavy atoms, and exhibiting mixed-anion characteristics, is considered a promising environmentally friendly TE material. In this study, the TE performance of SrZn2S2O was investigated based on density functional theory (DFT) and compared with that of the prototypical mixed-anion oxide BiCuSeO. The calculated results show that SrZn2S2O exhibits a higher optimal average p-type power factor than BiCuSeO at 900 K, reaching 1150 μW m-1 K-2 compared with 770 μW m-1 K-2 for BiCuSeO. In addition, nanostructuring strategies can reduce the lattice thermal conductivity of SrZn2S2O by 40% or more in all crystallographic directions. This leads to an n-type maximum ZT value of 0.65 along the b direction and a p-type maximum ZT value of 0.77 along the c direction for SrZn2S2O.
Related Topics
Concepts
Environmentally friendly
Thermoelectric effect
Materials science
Thermoelectric materials
Thermal conductivity
Waste heat
Energy conversion efficiency
Power density
Waste heat recovery unit
Thermal
Engineering physics
Density functional theory
Thermoelectric generator
Electricity generation
Energy transformation
Oxide
Sustainable energy
Efficient energy use
Lattice (music)
Process engineering
Power factor
Thermal energy
Power (physics)
Energy storage
Optoelectronics
Energy (signal processing)
Thermoelectric cooling
Seebeck coefficient
Energy density
Mechanical engineering
Nanotechnology
Current density
Nuclear engineering
Thermodynamics
Metadata
- Type
- article
- Landing Page
- https://doi.org/10.5281/zenodo.17709519
- OA Status
- green
- OpenAlex ID
- https://openalex.org/W7106693870
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W7106693870Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.5281/zenodo.17709519Digital Object Identifier
- Title
-
Computational Investigation of the Thermoelectric Performance of Environmentally Friendly and Earth-Abundant SrZn2S2OWork title
- Type
-
articleOpenAlex work type
- Publication year
-
2025Year of publication
- Publication date
-
2025-11-25Full publication date if available
- Authors
-
Bi, Shipeng, Brlec, Katarina, Squires, Alexander, Scanlon, DavidList of authors in order
- Landing page
-
https://doi.org/10.5281/zenodo.17709519Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
greenOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.5281/zenodo.17709519Direct OA link when available
- Concepts
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Environmentally friendly, Thermoelectric effect, Materials science, Thermoelectric materials, Thermal conductivity, Waste heat, Energy conversion efficiency, Power density, Waste heat recovery unit, Thermal, Engineering physics, Density functional theory, Thermoelectric generator, Electricity generation, Energy transformation, Oxide, Sustainable energy, Efficient energy use, Lattice (music), Process engineering, Power factor, Thermal energy, Power (physics), Energy storage, Optoelectronics, Energy (signal processing), Thermoelectric cooling, Seebeck coefficient, Energy density, Mechanical engineering, Nanotechnology, Current density, Nuclear engineering, ThermodynamicsTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
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