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
Calculated electron affinity and stability of halogen-terminated diamond
Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
Visa övriga samt affilieringar
2011 (Engelska)Ingår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, nr 24, artikel-id 245305Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The chemical termination of diamond has a dramatic impact on its electrical and chemical properties, where hydrogen and oxygen termination produce negative and positive electron affinities, respectively. However, the impact of halogen termination is not fully understood. We show that for low-index surfaces, 100% fluorinated surfaces exhibit chemically stable positive electron affinities in the 1.17 to 2.63 eV range, whereas 100% chlorination is energetically unfavorable. At lower coverage the positive electron affinity is smaller, being a combination of halogen-terminated and unterminated sites. For mixed halogen and hydrogen termination, a wide range of negative and positive electron affinities can be achieved by varying the relative concentrations of adsorbed species.

Ort, förlag, år, upplaga, sidor
2011. Vol. 84, nr 24, artikel-id 245305
Nationell ämneskategori
Beräkningsmatematik
Forskningsämne
Teknisk-vetenskapliga beräkningar
Identifikatorer
URN: urn:nbn:se:ltu:diva-3116DOI: 10.1103/PhysRevB.84.245305ISI: 000297934000006Scopus ID: 2-s2.0-84855454884Lokalt ID: 0e7a0e03-d1d2-49d6-89c2-791238c7b50aOAI: oai:DiVA.org:ltu-3116DiVA, id: diva2:975972
Anmärkning

Validerad; 2011; 20111214 (rayson)

Tillgänglig från: 2016-09-29 Skapad: 2016-09-29 Senast uppdaterad: 2018-07-10Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltextScopus

Person

Rayson, Mark

Sök vidare i DiVA

Av författaren/redaktören
Rayson, Mark
Av organisationen
Matematiska vetenskaper
I samma tidskrift
Physical Review B. Condensed Matter and Materials Physics
Beräkningsmatematik

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 48 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