Sökning: onr:"swepub:oai:research.chalmers.se:fa2af6e0-675d-43f6-894a-c2bae84ec3f2" >
Efficient hydrogena...
Efficient hydrogenation over single-site bimetallic RuSn clusters
-
- Paz-Borbon, Lauro Oliver, 1982 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Hellman, Anders, 1974 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Thomas, J. M. (författare)
- University Of Cambridge
-
visa fler...
-
- Grönbeck, Henrik, 1966 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
-
visa färre...
-
(creator_code:org_t)
- Royal Society of Chemistry (RSC), 2013
- 2013
- Engelska.
-
Ingår i: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9084 .- 1463-9076. ; 15:24, s. 9694-9700
- Relaterad länk:
-
http://dx.doi.org/10...
-
visa fler...
-
https://doi.org/10.1...
-
https://research.cha...
-
visa färre...
Abstract
Ämnesord
Stäng
- Hydrogenation of ethene to ethane over single-site RuN and (RuSn)(N) clusters is investigated using Density Functional Theory calculations. The critical transition state barrier, namely the last hydrogenation step, correlates linearly for RuN with the adsorption energies of the reactants. Addition of Sn to the Ru-clusters breaks this relation and allows for lower reaction barriers. In general, Sn is found to have pronounced effects on the geometrical and electronic properties of RuN clusters with N
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
Hitta via bibliotek
Till lärosätets databas