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...

Full description

Bibliographic Details
Main Authors: Li, Huashan, Grossman, Jeffrey C.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Published: Wiley-Blackwell 2017
Online Access:http://hdl.handle.net/1721.1/111837
https://orcid.org/0000-0003-1281-2359
_version_ 1826213482819747840
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
record_format dspace
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