metal-surfaces
A benchmark database of barrier heights on transition metal surfaces
... transition metal surfaces, 9,74 will be invaluable in designing and benchmarking density functionals for applications in surface chemistry and heterogeneous ...catalyst surfaces is the description of ...
9
Synthesis of electro active compounds suitable for adsorption on metal surfaces
... on metal surfaces includes a useful table listing examples of the formation of such monolayers by interaction of many of the common organic functional groups with different metals, metal oxides and ...
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Many body dispersion effects in the binding of adsorbates on metal surfaces
... A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work we demonstrate ...
14
The role of tensorial electronic friction in energy transfer at metal surfaces
... An accurate description of nonadiabatic energy relaxation is crucial for modeling atomistic dy- namics at metal surfaces. Interfacial energy transfer due to electron-hole pair excitations coupled to motion ...
6
Adsorption structures and energetics of molecules on metal surfaces : bridging experiment and theory
... on surfaces are key parameters that determine the ob- servable properties and functions of hybrid inorganic/organic systems ...on metal single-crystal ...
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An investigation of the structure of water layers at plane and modified metal surfaces
... tion metal surfaces [42] and were believed to allow water to bind in a buckled, bilayer structure, with alternate O atoms in their favoured water adsorption site, atop the ...the metal surface, ...
203
Mie plasmon enhanced diffraction of light from nanoporous metal surfaces
... of metal gratings was the dis- covery and understanding of the Wood anomalies [1] in the reflection spectra, which have been assigned later into two ...nanoporous metal structures [2, 3, 4, 5] have prompted ...
8
Hydrogen dissociation on metal surfaces: A semi-empirical approach
... The most efficient electronic structure method to compute the interac- tion of a molecule with a metal surface is density functional theory (DFT). However, there are limitations to the accuracy of the ...
249
Electrophoretic deposition of alumina and boehmite coatings on metal surfaces
... on metal surfaces, as well as the determination of the optimal deposition parameters (applied voltage, deposition time, electrodeposition bath temperature, suspension concentration) in order to control the ...
12
Graphene formation on metal surfaces investigated by in-situ scanning tunneling microscopy
... beyond the concentrations shown by the dashed blue and red lines in the diagram of figure 5, so that both carbide and graphene nuclei could be formed. With time, the carbide islands will disappear and the graphene ...
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The Influence of Metal Surfaces on the Effect of Lubricants
... The test specimen with a hardness of 62.5 HRC appears again to be more oxidic than the test specimen with 61.9 HRC. The working hypothesis is that the proportion of oxidic or hydroxydic groups on the two metal ...
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Reaction Pathways of Biomass-Derived Oxygenates on Noble Metal Surfaces
... 10 metal with a second, less-reactive metal has been proposed as one approach to alter the decarbonylation/deoxygenation selectivity to favor the deoxygenation ...
201
Electron emission from selected metal surfaces by multiphoton processes
... However, the most conclusive evidence for 'A Pkotoemissive Effect was made by Heinrich Hertz in 1887. During his classical researches on electric waves and osciUations, Hertz observed that sparks occurred more readüy in ...
222
The Bonding of Fluorinated and Hydrogenated Ethers to Metal Surfaces: A Surface Science Approach to Tribology
... We report a surface science study of fluorinated and hydrogenated ethers adsorbed at a metal surface. Fluorinated ethers bond less strongly to ruthenium surfaces than the hydrogenated analogs, both for ...
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Micro-Irregularities of Metal Surfaces
... milled surfaces. SEM photographs of the surfaces with longitudinal and lateral profiles are included and ...of surfaces milled with a ball-end cutter is ...
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The interaction of fast neutral atoms with metal surfaces
... So far the experimental results agree quite well with the PK's KEE model. However, P K 's theory does not free from shortcomings. It is impossible to use the model to explain the observed high secondary electron yields ...
247
Self assembly of decoupled borazines on metal surfaces : the role of the peripheral groups
... At a submonolayer coverage, extended highly-ordered molecu- lar islands of borazine 1 were observed on the terraces of Au(111) and Cu(111) surfaces (Figure 1a and b). A close-up view of these islands shows that ...
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SEXAFS and NISXW studies of adsorbates on transition metal surfaces
... 0.66 A nitrogen = 0.70 A carbon = 0.77 A] it would be impossible for them to adsorb into the sites at the surface which an atom of the next layer of the sub strate would occupy (If such a layer were to be grown ...
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The role of reconstruction in self assembly of alkylthiolate monolayers on coinage metal surfaces
... Initially, it was assumed that this reconstructed layer would have the same hexagonal symmetry as the substrate [8], but later STM work (on both methylthiolate [9] and octylthiolate [10] layers) showed that in fact the ...
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Structural Steps in Oxidation of Metal Surfaces: (100) Faces of Pd and Ni
... We compare the structural transformations which take place during oxidation of Pd(100) and Ni(100) surfaces, and the ways in which these structural changes affect surface properties. The structural steps are ...
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