Hyppää sisältöön
    • Suomeksi
    • På svenska
    • In English
  • Suomeksi
  • In English
  • Kirjaudu
Näytä aineisto 
  •   Etusivu
  • LUTPub
  • Tieteelliset julkaisut
  • Näytä aineisto
  •   Etusivu
  • LUTPub
  • Tieteelliset julkaisut
  • Näytä aineisto
JavaScript is disabled for your browser. Some features of this site may not work without it.

Identification of Lone-Pair Surface States on Indium Oxide

Pussi, Katariina; Davies, Daniel W.; Walsh, Aron; Mudd, James J.; McConville, Chris F.; Regoutz, Anna; Kahk, J. Matthias; Payne, David J.; Dhanak, Vin R.; Hesp, David; Lee, Tien-Lin; Egdell, Russell G.; Zhang, Kelvin H. L. (2018-12-24)

Katso/Avaa
davies_et_al_identification_of.pdf (1.867Mb)
Lataukset: 


Post-print / Final draft

Pussi, Katariina
Davies, Daniel W.
Walsh, Aron
Mudd, James J.
McConville, Chris F.
Regoutz, Anna
Kahk, J. Matthias
Payne, David J.
Dhanak, Vin R.
Hesp, David
Lee, Tien-Lin
Egdell, Russell G.
Zhang, Kelvin H. L.
24.12.2018

Journal of Physical Chemistry C

123

3

1700-1709

American Chemical Society

School of Engineering Science

Kaikki oikeudet pidätetään.
© 2018 American Chemical Society
https://doi.org/10.1021/acs.jpcc.8b08623
Näytä kaikki kuvailutiedot
Julkaisun pysyvä osoite on
https://urn.fi/URN:NBN:fi-fe2019042313155

Tiivistelmä

Indium oxide is widely used as a transparent electrode in optoelectronic devices and as a photocatalyst with activity for reduction of CO2. However, very little is known about the structural and electronic properties of its surfaces, particularly those prepared under reducing conditions. In this report, directional “lone-pair” surface states associated with filled 5s2 orbitals have been identified on vacuum-annealed In2O3(111) through a combination of hard and soft X-ray photoemission spectroscopy and density functional theory calculations. The lone pairs reside on indium ad-atoms in a formal +1 oxidation state, each of which traps two electrons into a localized hybrid orbital protruding away from the surface and lying just above the valence band maximum in photoemission spectra. The third electron associated with the ad-atoms is delocalized into the conduction band, thus producing the surface electron accumulation layer identified previously on vacuum-annealed In2O3(111) (1 × 1) surfaces. The surface structure is further supported by low-energy electron diffraction, but there is no chemical shift in indium core level X-ray photoelectron spectra between surface In(I) ad-atoms and bulk In(III). The 5s2 lone pairs confer Lewis basicity on the surface In sites and may have a pronounced impact on the catalytic or photocatalytic activity of reduced In2O3.

Lähdeviite

Davies D. W., Walsh A., Mudd J. J., McConville C. F., Regoutz A., Kahk J. M., Payne D. J., Dhanak V. R., Hesp D., Pussi K., Lee T., Egdell R. G., Zhang K. H. L. (2019). Identification of Lone-Pair Surface States on Indium Oxide. Journal of Physical Chemistry C, vol. 123, 3. pp. 1700-1709. DOI: 10.1021/acs.jpcc.8b08623

Kokoelmat
  • Tieteelliset julkaisut [1101]
LUT-yliopisto
PL 20
53851 Lappeenranta
Ota yhteyttä | Tietosuoja | Saavutettavuusseloste
 

 

Tämä kokoelma

JulkaisuajatTekijätNimekkeetKoulutusohjelmaAvainsanatSyöttöajatYhteisöt ja kokoelmat

Omat tiedot

Kirjaudu sisäänRekisteröidy
LUT-yliopisto
PL 20
53851 Lappeenranta
Ota yhteyttä | Tietosuoja | Saavutettavuusseloste