Source:http://linkedlifedata.com/resource/pubmed/id/16984194
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
38
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| pubmed:dateCreated |
2006-9-20
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| pubmed:abstractText |
The issue of tuning the relative height of the first two dehydrogenation barriers of methane (CH(4) --> CH(3) + H and CH(3) --> CH(2) + H) is addressed using density-functional theory. It is shown that the combination of a very active reaction center-such as Rh-with a more inert substrate-such as Cu(111)-may hinder the second dehydrogenation step with respect to the first, thus resulting in the reverse of the natural order of the two barriers' heights.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Sep
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| pubmed:issn |
0002-7863
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| pubmed:author | |
| pubmed:issnType |
Print
|
| pubmed:day |
27
|
| pubmed:volume |
128
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| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
12448-54
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| pubmed:year |
2006
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| pubmed:articleTitle |
Methane dehydrogenation on Rh@Cu(111): a first-principles study of a model catalyst.
|
| pubmed:affiliation |
SISSA-Scuola Internazionale Superiore di Studi Avanzati and CNR-INFM DEMOCRITOS National Simulation Center, I-34014 Trieste, Italy. Tone.Kokalj@ijs.si
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| pubmed:publicationType |
Journal Article
|