Thermoelectric phenomena in chemically synthesized graphene nanoribbons with substitution atoms and functional groups

Krzysztof Zberecki , Renata Świrkowicz

Abstract

We analyze theoretically electronic, magnetic, and thermoelectric properties of narrow carbon polymers. Such nanoribbons, which can be obtained chemically via bottom-up approach from the appropriate monomers, may exhibit extremely interesting properties from application point of view if modified with substitution Al/N atoms or functionalized with NOCH3 group. Our investigations, based on ab initio calculations, show that such modification may considerably narrow the bandgap with respect to pristine structures. Also, magnetic moments ordered ferromagnetically can be generated along modified edges, which results in the spin dependent band structure giving rise to remarkable spin effects, giving strongly enhanced spin Seebeck coefficient. These results suggest that modified polymeric graphene nanoribbons would have a great potential for applications in spintronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Author Krzysztof Zberecki ZBS
Krzysztof Zberecki,,
- Structural Research Division
, Renata Świrkowicz ZBS
Renata Świrkowicz,,
- Structural Research Division
Journal seriesPHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, ISSN 0370-1972
Issue year2016
Vol253
No12
Pages2523-2527
Publication size in sheets0.5
Keywords in Englishab initio calculations; Aluminum; graphene; nanoribbons; NOCH3; nitrogen; spintronics; thermoelectric effect
DOIDOI:10.1002/pssb.201600354
URL https://www.scopus.com/inward/record.uri?eid=2-s2.0-84980684516&partnerID=40&md5=76e4cbd7876f6bbeee6aaea235e7c53c
Languageen angielski
File
zberecki2016pss.pdf 1.14 MB
Score (nominal)20
ScoreMinisterial score [Punktacja MNiSW] = 20.0, 28-11-2017, ArticleFromJournal
Ministerial score (2013-2016) [Punktacja MNiSW (2013-2016)] = 20.0, 28-11-2017, ArticleFromJournal
Publication indicators WoS Impact Factor [Impact Factor WoS]: 2016 = 1.674 (2) - 2016=1.557 (5)
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