Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Strong Topological States and High Charge Carrier Mobility in Tetraoxa[8]circulene Nanosheets
KTH, Skolan för kemi, bioteknologi och hälsa (CBH), Teoretisk kemi och biologi.ORCID-id: 0000-0002-0716-3385
KTH, Skolan för kemi, bioteknologi och hälsa (CBH), Teoretisk kemi och biologi.
Visa övriga samt affilieringar
2018 (Engelska)Ingår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 122, nr 38, s. 22216-22222Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Here we report structural and electronic properties of a new family of two-dimensional covalent metal-free organic frameworks based on tetraoxa[8]circulene with different types of fusing. All nanosheets demonstrate high thermodynamic stability and unique electronic properties depending on the fusing type. Among three types of nanosheets, only two demonstrate semiconducting properties exhibiting 1.37 and 1.84 eV direct band gaps, while another one is found to be a semimetal, which hosts strong topological states and enhances the band gap (∼87 meV) induced by spin-orbit coupling that exceeds by several orders of magnitude that gap in graphene. Tetraoxa[8]circulene-based nanosheets are also predicted to be good organic semiconductors due to a clearly observable quantum confinement effect on the band gap size in oligomers and relatively low effective masses, which result in high carrier mobility. Owing to the versatility of chemical design, these materials have the potential to expand applications beyond those of graphene.

Ort, förlag, år, upplaga, sidor
American Chemical Society (ACS), 2018. Vol. 122, nr 38, s. 22216-22222
Nyckelord [en]
Carrier mobility, Electronic properties, Graphene, Nanosheets, Topology, High carrier mobility, Orders of magnitude, Quantum confinement effects, Semi-conducting property, Spin-orbit couplings, Structural and electronic properties, Tetraoxa[8]circulene, Topological state, Energy gap
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
URN: urn:nbn:se:kth:diva-236349DOI: 10.1021/acs.jpcc.8b08596ISI: 000446141900057Scopus ID: 2-s2.0-85053683437OAI: oai:DiVA.org:kth-236349DiVA, id: diva2:1261586
Anmärkning

QC 20181108

Tillgänglig från: 2018-11-08 Skapad: 2018-11-08 Senast uppdaterad: 2018-11-08Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltextScopus

Sök vidare i DiVA

Av författaren/redaktören
Baryshnikov, Gleb V.Ignatova, NinaÅgren, Hans
Av organisationen
Teoretisk kemi och biologiAlbanova VinnExcellence Center for Protein Technology, ProNova
I samma tidskrift
The Journal of Physical Chemistry C
Den kondenserade materiens fysik

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 299 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf