Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder
Control of both the regularity of a material ensemble and nanoscale architecture provides unique opportunities to develop novel thermoelectric applications based on 2D materials. As an example, the authors explore the electronic and thermal properties of functionalized graphene nanoribbons (GNRs) in...
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Wiley-Blackwell
2017
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Online Access: | http://hdl.handle.net/1721.1/111837 https://orcid.org/0000-0003-1281-2359 |
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author | Li, Huashan Grossman, Jeffrey C. |
author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Li, Huashan Grossman, Jeffrey C. |
author_sort | Li, Huashan |
collection | MIT |
description | Control of both the regularity of a material ensemble and nanoscale architecture provides unique opportunities to develop novel thermoelectric applications based on 2D materials. As an example, the authors explore the electronic and thermal properties of functionalized graphene nanoribbons (GNRs) in the single-sheet and helical architectures using multiscale simulations. The results suggest that appropriate functionalization enables precise tuning of the doping density in a planar donor/acceptor GNR ensemble without the need to introduce an explicit dopant, which is critical to the optimization of power factor. In addition, the self-interaction between turns of a GNR may induce long-range disorder along the helical axis, which suppresses the thermal contribution from phonons with long wavelengths, leading to anomalous length independent phonon thermal transport in the quasi-1D system. |
first_indexed | 2024-09-23T15:49:55Z |
format | Article |
id | mit-1721.1/111837 |
institution | Massachusetts Institute of Technology |
last_indexed | 2024-09-23T15:49:55Z |
publishDate | 2017 |
publisher | Wiley-Blackwell |
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spelling | mit-1721.1/1118372022-09-29T16:28:33Z Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder Li, Huashan Grossman, Jeffrey C. Massachusetts Institute of Technology. Department of Materials Science and Engineering Li, Huashan Grossman, Jeffrey C. Control of both the regularity of a material ensemble and nanoscale architecture provides unique opportunities to develop novel thermoelectric applications based on 2D materials. As an example, the authors explore the electronic and thermal properties of functionalized graphene nanoribbons (GNRs) in the single-sheet and helical architectures using multiscale simulations. The results suggest that appropriate functionalization enables precise tuning of the doping density in a planar donor/acceptor GNR ensemble without the need to introduce an explicit dopant, which is critical to the optimization of power factor. In addition, the self-interaction between turns of a GNR may induce long-range disorder along the helical axis, which suppresses the thermal contribution from phonons with long wavelengths, leading to anomalous length independent phonon thermal transport in the quasi-1D system. United States. Department of Energy. Office of Science (Contract DE-AC02-05CH11231) 2017-10-11T12:30:12Z 2017-10-11T12:30:12Z 2017-03 2016-12 2017-10-10T16:48:45Z Article http://purl.org/eprint/type/JournalArticle 2198-3844 http://hdl.handle.net/1721.1/111837 Li, Huashan, and Grossman, Jeffrey C. “Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder.” Advanced Science 4, 8 (March 2017): 1600467 © 2017 The Authors https://orcid.org/0000-0003-1281-2359 http://dx.doi.org/10.1002/ADVS.201600467 Advanced Science Creative Commons Attribution 4.0 International License http://creativecommons.org/licenses/by/4.0/ application/pdf Wiley-Blackwell Wiley |
spellingShingle | Li, Huashan Grossman, Jeffrey C. Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title | Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title_full | Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title_fullStr | Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title_full_unstemmed | Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title_short | Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder |
title_sort | graphene nanoribbon based thermoelectrics controllable self doping and long range disorder |
url | http://hdl.handle.net/1721.1/111837 https://orcid.org/0000-0003-1281-2359 |
work_keys_str_mv | AT lihuashan graphenenanoribbonbasedthermoelectricscontrollableselfdopingandlongrangedisorder AT grossmanjeffreyc graphenenanoribbonbasedthermoelectricscontrollableselfdopingandlongrangedisorder |