Reference : Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/24985
Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces
-
Camarillo-Cisneros, Javier [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, Berlin, Germany, Centro de Investigación en Materiales Avanzados, Miguel de Cervantes 120, Chihuahua, Mexico > > > ; Centro de Investigación en Materiales Avanzados, Miguel de Cervantes 120, C.P. 31109, Chihuahua, Mexico]
Liu, Wei [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, Berlin, Germany, Nano Structural Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, Jiangsu, China > > > ; Nano Structural Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China]
Tkatchenko, Alexandre mailto [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany]
2015
Physical Review Letters
American Physical Society
115
8
Yes (verified by ORBilu)
International
00319007
[en] Adsorption ; Aromatic compounds ; Calculations ; Desorption ; Hydrocarbons ; Molecules ; Naphthalene ; Temperature ; Van der Waals forces ; Adsorption strength ; Desorption study ; Finite temperatures ; First-principles calculation ; Low temperatures ; Pressure and temperature ; Surface process ; Van der Waals attraction ; Aromatic hydrocarbons
[en] The study of how molecules adsorb, diffuse, interact, and desorb from imperfect surfaces is essential for a complete understanding of elementary surface processes under relevant pressure and temperature conditions. Here we use first-principles calculations to study the adsorption of benzene and naphthalene on a vicinal Cu(443) surface with the aim to gain insight into the behavior of aromatic hydrocarbons on realistic surfaces at a finite temperature. Upon strong adsorption at step edges at a low temperature, the molecules then migrate from the step to the (111) terraces, where they can freely diffuse parallel to the step edge. This migration happens at temperatures well below the onset of desorption, suggesting a more complex dynamical picture than previously proposed from temperature-programed desorption studies. The increase of the adsorption strength observed in experiments for Cu(443) when compared to Cu(111) is explained by a stronger long-range van der Waals attraction between the hydrocarbons and the step edges of the Cu(443) surface. Our calculations highlight the need for time-resolved experimental studies to fully understand the dynamics of molecular layers on surfaces. © 2015 American Physical Society.
DMR-1308613, NSF, National Science Foundation
http://hdl.handle.net/10993/24985
10.1103/PhysRevLett.115.086101

File(s) associated to this reference

Fulltext file(s):

FileCommentaryVersionSizeAccess
Open access
Steps or terraces? Dynamics of aromatic hydrocarbons absorbed at vicinal metal surfaces.pdfPublisher postprint892.58 kBView/Open

Bookmark and Share SFX Query

All documents in ORBilu are protected by a user license.