Mechanism for reversed photoemission core-level shifts of oxidized Ag
(2012) In Physical Review B (Condensed Matter and Materials Physics) 85(11).- Abstract
- Density functional theory calculations and high-resolution core-level spectroscopy are used to explore the remarkable observation of decreased Ag 3d binding energy upon silver oxidation. The shift in Ag 3d binding energy is investigated at different degrees of oxidation and compared to results for Pd 3d, which exhibits a normal shift. Analysis of initial-state effects and valence electronic structure shows that the onsite Ag core potential is insensitive to oxidation despite a clear metal-to-oxygen charge transfer. The substantial negative shift for oxidized Ag is instead attributed to final-state effects as screening of the core-hole occurs in metal s states of bonding character.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2494790
- author
- Gronbeck, Henrik ; Klacar, Simon ; Martin, Natalia LU ; Hellman, Anders ; Lundgren, Edvin LU and Andersen, Jesper N LU
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 85
- issue
- 11
- article number
- 115445
- publisher
- American Physical Society
- external identifiers
-
- wos:000302104600010
- scopus:84859219952
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.85.115445
- language
- English
- LU publication?
- yes
- id
- 5bf2ebe5-1860-43fc-96ee-85460ea722ce (old id 2494790)
- date added to LUP
- 2016-04-01 12:59:09
- date last changed
- 2022-03-13 21:27:58
@article{5bf2ebe5-1860-43fc-96ee-85460ea722ce, abstract = {{Density functional theory calculations and high-resolution core-level spectroscopy are used to explore the remarkable observation of decreased Ag 3d binding energy upon silver oxidation. The shift in Ag 3d binding energy is investigated at different degrees of oxidation and compared to results for Pd 3d, which exhibits a normal shift. Analysis of initial-state effects and valence electronic structure shows that the onsite Ag core potential is insensitive to oxidation despite a clear metal-to-oxygen charge transfer. The substantial negative shift for oxidized Ag is instead attributed to final-state effects as screening of the core-hole occurs in metal s states of bonding character.}}, author = {{Gronbeck, Henrik and Klacar, Simon and Martin, Natalia and Hellman, Anders and Lundgren, Edvin and Andersen, Jesper N}}, issn = {{1098-0121}}, language = {{eng}}, number = {{11}}, publisher = {{American Physical Society}}, series = {{Physical Review B (Condensed Matter and Materials Physics)}}, title = {{Mechanism for reversed photoemission core-level shifts of oxidized Ag}}, url = {{https://lup.lub.lu.se/search/files/3087684/2969445.pdf}}, doi = {{10.1103/PhysRevB.85.115445}}, volume = {{85}}, year = {{2012}}, }