Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder

Li, Huashan; Grossman, Jeffrey C.

doi:10.1002/advs.201600467

Title: Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder

Journal Article · Fri Mar 31 00:00:00 EDT 2017 · Advanced Science

DOI:https://doi.org/10.1002/advs.201600467· OSTI ID:1349528

Li, Huashan ^[1]; Grossman, Jeffrey C. ^[1]

Department of Materials Science and Engineering, Massachusetts Institute of Technology, 02139 Cambridge MA USA

Control of both the regularity of a material ensemble and nanoscale architecture provides unique opportunities to develop novel thermoelectric applications based on 2D materials. For instance, 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. Moreover, 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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); ExxonMobil; National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1349528

Alternate ID(s):: OSTI ID: 1349529; OSTI ID: 1543463

Journal Information:: Advanced Science, Journal Name: Advanced Science Vol. 4 Journal Issue: 8; ISSN 2198-3844

Publisher:: WileyCopyright Statement

Country of Publication:: Germany

Language:: English

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Cited by: 7 works

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