Sökning: onr:"swepub:oai:research.chalmers.se:852d4833-12d8-4967-8756-4ed44accaf59" >
Charging of atoms, ...
Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon
-
- Frondelius, P. (författare)
- Jyväskylän Yliopisto,University of Jyväskylä
-
- Hellman, Anders, 1974 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Honkala, K. (författare)
- Jyväskylän Yliopisto,University of Jyväskylä
-
visa fler...
-
- Hakkinen, H. (författare)
- Jyväskylän Yliopisto,University of Jyväskylä
-
- Grönbeck, Henrik, 1966 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
-
visa färre...
-
(creator_code:org_t)
- 2008
- 2008
- Engelska.
-
Ingår i: Physical Review B - Condensed Matter and Materials Physics. - 2469-9950 .- 2469-9969. ; 78:8, s. 7-
- Relaterad länk:
-
https://research.cha...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- The density-functional theory is used to investigate the adsorption of Au atoms, Au clusters, and NO2 molecules on transition-metal-supported oxides. As compared to unsupported oxides, the adsorbates on supported oxide films are charged and experience a higher adsorption energy. The origin of the effect is explored by considering two different oxides (MgO and Al2O3) and a range of supporting metals. Moreover, the limits of the enhancement are probed by explicit calculations for thick MgO films and low coverage. The long-range character of the phenomenon is attributed to electrostatic polarization. The absolute strength depends on several contributions and their relative importance changes with system composition.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Annan teknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Other Engineering and Technologies (hsv//eng)
Nyckelord
- ADSORPTION
- NO2
- DENSITY
- FILMS
- MGO(100)
- MO
- INTERFACES
- MGO
- SURFACE
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
Hitta via bibliotek
Till lärosätets databas