The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications
Thermoelectric devices have substantial potential as an environmentally compatible and sustainable power source to produce electricity straight out of waste heat. In this article, the density functional theory and Boltzmann’s transport equation are employed to investigate the thermoelectric characte...
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| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2025-01-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0243511 |
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| author | Iqtidar Ahmad Xue-Peng Wang Ismail Shahid Anwar Ali Syed Hatim Shah En Li Tu Lyu Keyuan Ding Xin Chen Feng Rao |
| author_facet | Iqtidar Ahmad Xue-Peng Wang Ismail Shahid Anwar Ali Syed Hatim Shah En Li Tu Lyu Keyuan Ding Xin Chen Feng Rao |
| author_sort | Iqtidar Ahmad |
| collection | DOAJ |
| description | Thermoelectric devices have substantial potential as an environmentally compatible and sustainable power source to produce electricity straight out of waste heat. In this article, the density functional theory and Boltzmann’s transport equation are employed to investigate the thermoelectric characteristics of blue phosphorene (P)/GaN and P/GeC van der Waals heterostructures (vdWHs). Both vdWHs exhibit a small lattice thermal conductivity at 300 K because of the enhanced phonon boundary dispersion. P/GaN and P/GeC vdWHs drive an impressive boost in the figure of merit (ZT), achieving remarkable values of 5.07 and 4.67 at their respective effective temperatures. Moreover, both vdWHs possess an average ZT as high as 3.91 (P/GaN) and 3.44 (P/GeC). We also observed that these vdWHs exhibit an excellent conversion efficiency, up to 26% (P/GaN) and 25% (P/GeC) at 700 K. Our findings demonstrate that both vdWHs have practical potential for thermoelectric applications, representing significant progress in developing better thermoelectric devices. |
| format | Article |
| id | doaj-art-a32ccf21b43e46b587d6a3014d2024c9 |
| institution | Kabale University |
| issn | 2166-532X |
| language | English |
| publishDate | 2025-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | APL Materials |
| spelling | doaj-art-a32ccf21b43e46b587d6a3014d2024c92025-02-03T16:42:31ZengAIP Publishing LLCAPL Materials2166-532X2025-01-01131011115011115-1010.1063/5.0243511The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applicationsIqtidar Ahmad0Xue-Peng Wang1Ismail Shahid2Anwar Ali3Syed Hatim Shah4En Li5Tu Lyu6Keyuan Ding7Xin Chen8Feng Rao9College of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaKey Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian 116024, ChinaCollege of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaFaculty of Materials Science and Engineering, Kunming University of Science and Technology, 650093 Kunming, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, ChinaThermoelectric devices have substantial potential as an environmentally compatible and sustainable power source to produce electricity straight out of waste heat. In this article, the density functional theory and Boltzmann’s transport equation are employed to investigate the thermoelectric characteristics of blue phosphorene (P)/GaN and P/GeC van der Waals heterostructures (vdWHs). Both vdWHs exhibit a small lattice thermal conductivity at 300 K because of the enhanced phonon boundary dispersion. P/GaN and P/GeC vdWHs drive an impressive boost in the figure of merit (ZT), achieving remarkable values of 5.07 and 4.67 at their respective effective temperatures. Moreover, both vdWHs possess an average ZT as high as 3.91 (P/GaN) and 3.44 (P/GeC). We also observed that these vdWHs exhibit an excellent conversion efficiency, up to 26% (P/GaN) and 25% (P/GeC) at 700 K. Our findings demonstrate that both vdWHs have practical potential for thermoelectric applications, representing significant progress in developing better thermoelectric devices.http://dx.doi.org/10.1063/5.0243511 |
| spellingShingle | Iqtidar Ahmad Xue-Peng Wang Ismail Shahid Anwar Ali Syed Hatim Shah En Li Tu Lyu Keyuan Ding Xin Chen Feng Rao The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications APL Materials |
| title | The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications |
| title_full | The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications |
| title_fullStr | The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications |
| title_full_unstemmed | The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications |
| title_short | The van der Waals heterostructures of blue phosphorene with GaN/GeC for high-performance thermoelectric applications |
| title_sort | van der waals heterostructures of blue phosphorene with gan gec for high performance thermoelectric applications |
| url | http://dx.doi.org/10.1063/5.0243511 |
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