Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials
The increased focus on global climate change has meant that the thermoelectric market has received considerably more attention. There are many processes producing large amounts of waste heat that can be utilised to generate electrical energy. Thermoelectric devices have long suffered with low effici...
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MDPI AG
2020-09-01
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| Series: | Energies |
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| Online Access: | https://www.mdpi.com/1996-1073/13/19/5096 |
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| author | Peter Spriggs Qing Wang |
| author_facet | Peter Spriggs Qing Wang |
| author_sort | Peter Spriggs |
| collection | DOAJ |
| description | The increased focus on global climate change has meant that the thermoelectric market has received considerably more attention. There are many processes producing large amounts of waste heat that can be utilised to generate electrical energy. Thermoelectric devices have long suffered with low efficiencies, but this can be addressed in principle by improving the performance of the thermoelectric materials these devices are manufactured with. This paper investigates the thermoelectric performance of market standard thermoelectric materials before analysing how this performance can be improved through the adoption of various nanotechnology techniques. This analysis is carried out through the computational simulation of the materials over low-, mid- and high-temperature ranges. In the low-temperature range, through the use of nanopores and full frequency phonon scattering, Mg<sub>0.97</sub>Zn<sub>0.03</sub>Ag<sub>0.9</sub>Sb<sub>0.95</sub> performed best with a <i>ZT</i> value of 1.45 at 433 K. Across the mid-temperature range a potentially industry leading <i>ZT</i> value of 2.08 was reached by AgSbTe<sub>1.85</sub>Se<sub>0.15</sub>. This was carried out by simulating the effect of band engineering and the introduction of dense stacking faults due to the addition of Se into AgSbTe<sub>2</sub>. AgSbTe<sub>1.85</sub>Se<sub>0.15</sub> cannot be implemented in devices operating above 673 K because it degrades too quickly. Therefore, for the top 200 K of the mid-temperature range a PbBi<sub>0.002</sub>Te–15% Ag<sub>2</sub>Te nanocomposite performed best with a maximum <i>ZT</i> of 2.04 at 753 K and maximum efficiency of 23.27 at 813 K. In the high-temperature range, through the doping of hafnium (Hf) the nanostructured FeNb<sub>0.88</sub>Hf<sub>0.12</sub>Sb recorded the highest <i>ZT</i> value of 1.49 at 1273 K. This was closely followed by Fe<sub>1.05</sub>Nb<sub>0.75</sub>Ti<sub>0.25</sub>Sb, which recorded a <i>ZT</i> value of 1.31 at 1133 K. This makes Fe<sub>1.05</sub>Nb<sub>0.75</sub>Ti<sub>0.25</sub>Sb an attractive substitute for FeNb<sub>0.88</sub>Hf<sub>0.12</sub>Sb due to the much lower cost and far greater abundance of titanium (Ti) compared with hafnium. |
| first_indexed | 2024-03-10T15:56:03Z |
| format | Article |
| id | doaj.art-8f76b201094449e8b3bb0da954178fe1 |
| institution | Directory Open Access Journal |
| issn | 1996-1073 |
| language | English |
| last_indexed | 2024-03-10T15:56:03Z |
| publishDate | 2020-09-01 |
| publisher | MDPI AG |
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| series | Energies |
| spelling | doaj.art-8f76b201094449e8b3bb0da954178fe12023-11-20T15:38:33ZengMDPI AGEnergies1996-10732020-09-011319509610.3390/en13195096Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric MaterialsPeter Spriggs0Qing Wang1Department of Engineering, Durham University, Durham DH1 3LE, UKDepartment of Engineering, Durham University, Durham DH1 3LE, UKThe increased focus on global climate change has meant that the thermoelectric market has received considerably more attention. There are many processes producing large amounts of waste heat that can be utilised to generate electrical energy. Thermoelectric devices have long suffered with low efficiencies, but this can be addressed in principle by improving the performance of the thermoelectric materials these devices are manufactured with. This paper investigates the thermoelectric performance of market standard thermoelectric materials before analysing how this performance can be improved through the adoption of various nanotechnology techniques. This analysis is carried out through the computational simulation of the materials over low-, mid- and high-temperature ranges. In the low-temperature range, through the use of nanopores and full frequency phonon scattering, Mg<sub>0.97</sub>Zn<sub>0.03</sub>Ag<sub>0.9</sub>Sb<sub>0.95</sub> performed best with a <i>ZT</i> value of 1.45 at 433 K. Across the mid-temperature range a potentially industry leading <i>ZT</i> value of 2.08 was reached by AgSbTe<sub>1.85</sub>Se<sub>0.15</sub>. This was carried out by simulating the effect of band engineering and the introduction of dense stacking faults due to the addition of Se into AgSbTe<sub>2</sub>. AgSbTe<sub>1.85</sub>Se<sub>0.15</sub> cannot be implemented in devices operating above 673 K because it degrades too quickly. Therefore, for the top 200 K of the mid-temperature range a PbBi<sub>0.002</sub>Te–15% Ag<sub>2</sub>Te nanocomposite performed best with a maximum <i>ZT</i> of 2.04 at 753 K and maximum efficiency of 23.27 at 813 K. In the high-temperature range, through the doping of hafnium (Hf) the nanostructured FeNb<sub>0.88</sub>Hf<sub>0.12</sub>Sb recorded the highest <i>ZT</i> value of 1.49 at 1273 K. This was closely followed by Fe<sub>1.05</sub>Nb<sub>0.75</sub>Ti<sub>0.25</sub>Sb, which recorded a <i>ZT</i> value of 1.31 at 1133 K. This makes Fe<sub>1.05</sub>Nb<sub>0.75</sub>Ti<sub>0.25</sub>Sb an attractive substitute for FeNb<sub>0.88</sub>Hf<sub>0.12</sub>Sb due to the much lower cost and far greater abundance of titanium (Ti) compared with hafnium.https://www.mdpi.com/1996-1073/13/19/5096COMSOLSeebeck coefficientthermoelectric effect<i>ZT</i> |
| spellingShingle | Peter Spriggs Qing Wang Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials Energies COMSOL Seebeck coefficient thermoelectric effect <i>ZT</i> |
| title | Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials |
| title_full | Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials |
| title_fullStr | Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials |
| title_full_unstemmed | Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials |
| title_short | Computationally Modelling the Use of Nanotechnology to Enhance the Performance of Thermoelectric Materials |
| title_sort | computationally modelling the use of nanotechnology to enhance the performance of thermoelectric materials |
| topic | COMSOL Seebeck coefficient thermoelectric effect <i>ZT</i> |
| url | https://www.mdpi.com/1996-1073/13/19/5096 |
| work_keys_str_mv | AT peterspriggs computationallymodellingtheuseofnanotechnologytoenhancetheperformanceofthermoelectricmaterials AT qingwang computationallymodellingtheuseofnanotechnologytoenhancetheperformanceofthermoelectricmaterials |