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Thermal reduction of activation energy of tricyclohexylphosphine on a rhodium crystal surface
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Sensor Science and Molecular Physics .ORCID iD: 0000-0002-0314-4291
2001 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 115, no 20, p. 9513-9518Article in journal (Refereed) Published
Abstract [en]

The activation energy of desorption for TCHP adsorbed on Rh(111) was calculated. Thermal atomic displacements of a semi-infinite metal of the crystal and effects of molecular rotation modes were included in the calculation. The potential versus the molecular distance to the Rh surface was taken as the Morse potential but with parameters fitted to the DFT calculations. The resulting data was analyzed in detail.
Place, publisher, year, edition, pages
2001. Vol. 115, no 20, p. 9513-9518
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-47225DOI: 10.1063/1.1389277OAI: oai:DiVA.org:liu-47225DiVA, id: diva2:268121
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2021-10-13

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Sadreev, AlmasUvdal, Kajsa

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