Electronic structure and performance analysis of a pentagraphene based thermoelectric generator
This study investigated the potential of pentagraphene (PG) as a high-performance thermoelectric material for energy conversion applications. Electronic structure calculations revealed that PG is an indirect bandgap semiconductor with a bandgap energy of 2.11 eV and exhibits anisotropic dielectric a...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2025-02-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0239785 |
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| _version_ | 1850027062046228480 |
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| author | Mulgeta Girma Tadesse Lemma Wakjira Kedir Hussien Kumneger Tadele Seyfan Kelil |
| author_facet | Mulgeta Girma Tadesse Lemma Wakjira Kedir Hussien Kumneger Tadele Seyfan Kelil |
| author_sort | Mulgeta Girma |
| collection | DOAJ |
| description | This study investigated the potential of pentagraphene (PG) as a high-performance thermoelectric material for energy conversion applications. Electronic structure calculations revealed that PG is an indirect bandgap semiconductor with a bandgap energy of 2.11 eV and exhibits anisotropic dielectric and plasmon properties. The phonon dispersion calculation shows that the material is dynamically stable under small perturbations. Furthermore, compared with graphene, PG has a lower phononic thermal conductivity. Thermoelectric property calculations show that PG has a significantly higher figure of merit (ZT) of 0.15 at 300 K than graphene, with a ZT of 0.009. Moreover, the ZT of PG increases with temperature, reaching 0.52 at 900 K. Simulations of a PG-based thermoelectric generator (TEG) demonstrate an efficiency of 7% at a heat source temperature of 900 K. This finding suggests that PG possesses thermoelectric properties superior to those of graphene and holds significant potential for the development of more efficient and practical TEGs, particularly for applications requiring moderate temperatures. |
| format | Article |
| id | doaj-art-d45e8b5e9efe4698ba8e3cae2d50a6ea |
| institution | DOAJ |
| issn | 2158-3226 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj-art-d45e8b5e9efe4698ba8e3cae2d50a6ea2025-08-20T03:00:21ZengAIP Publishing LLCAIP Advances2158-32262025-02-01152025204025204-810.1063/5.0239785Electronic structure and performance analysis of a pentagraphene based thermoelectric generatorMulgeta Girma0Tadesse Lemma Wakjira1Kedir Hussien2Kumneger Tadele3Seyfan Kelil4Physics Department, College of Natural and Computational Sciences, Madda Walabu University, P.O. Box 247, Bale Robe, Oromia, EthiopiaPhysics Department, College of Natural and Computational Sciences, Haramaya University, P.O. Box 138, Dire Dawa, EthiopiaApplied Physics Department, Adama Science and Technology University, P. O. Box: 1888, Adama, EthiopiaApplied Physics Department, Adama Science and Technology University, P. O. Box: 1888, Adama, EthiopiaApplied Physics Department, Adama Science and Technology University, P. O. Box: 1888, Adama, EthiopiaThis study investigated the potential of pentagraphene (PG) as a high-performance thermoelectric material for energy conversion applications. Electronic structure calculations revealed that PG is an indirect bandgap semiconductor with a bandgap energy of 2.11 eV and exhibits anisotropic dielectric and plasmon properties. The phonon dispersion calculation shows that the material is dynamically stable under small perturbations. Furthermore, compared with graphene, PG has a lower phononic thermal conductivity. Thermoelectric property calculations show that PG has a significantly higher figure of merit (ZT) of 0.15 at 300 K than graphene, with a ZT of 0.009. Moreover, the ZT of PG increases with temperature, reaching 0.52 at 900 K. Simulations of a PG-based thermoelectric generator (TEG) demonstrate an efficiency of 7% at a heat source temperature of 900 K. This finding suggests that PG possesses thermoelectric properties superior to those of graphene and holds significant potential for the development of more efficient and practical TEGs, particularly for applications requiring moderate temperatures.http://dx.doi.org/10.1063/5.0239785 |
| spellingShingle | Mulgeta Girma Tadesse Lemma Wakjira Kedir Hussien Kumneger Tadele Seyfan Kelil Electronic structure and performance analysis of a pentagraphene based thermoelectric generator AIP Advances |
| title | Electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| title_full | Electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| title_fullStr | Electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| title_full_unstemmed | Electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| title_short | Electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| title_sort | electronic structure and performance analysis of a pentagraphene based thermoelectric generator |
| url | http://dx.doi.org/10.1063/5.0239785 |
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