Trends in the adsorption and decomposition of hydrogen and ethylene on monolayer metal films: A combined DFT and experimental study

Monolayer bimetallic surfaces: Experimental and theoretical studies of trends in electronic and chemical properties

“…34 shows the desorption of the H 2 product following the decomposition of ethylene on Mo(110), thick Pd(111) film, and surface monolayer Pd-Mo (110). Based on the desorption peak areas of H 2 , the degree of ethylene decomposition on monolayer Pd-Mo (110) is significantly less than either Mo(110) or Pd(111) [94], confirming the DFT predictions. TPD experiments monitoring (111) [94].…”

“…22 shows an extension of the DFT trend from MBS systems to transition metal carbides [39]. This is an attempt to explain the observations that transition metal carbides, such as Mo 2 C, often show similar chemical properties as those of [94]. The desorption of H 2 occurs at ∼142 K, representing the lowest desorption temperature among all the MBS structures that have been studied experimentally.…”

“…DFT calculations also predict that several other MBS structures, such as monolayer and surfaces, should also bond to ethylene very weakly [94]. Zellner et al performed TPD and HREELS studies to confirm the DFT predictions [94].…”

Tailoring specific adsorption sites by alloying: adsorption of unsaturated organic molecules on alloy surfaces

“…This example demonstrates the power of the combination of vibrational spectroscopy and DFT calculations in order to solve the structures of adsorption complexes, an approach, which has also successfully been applied to the adsorption of ethene on metallic overlayers [49]. Moreover it shows how specific adsorption geometries can be realized by tailoring the chemical and geometrical environment at the substrate.…”

Reforming of Oxygenates for H2 Production on 3d/Pt(111) Bimetallic Surfaces

“…During TPD the samples were heated at a linear rate of 3 K/s. The UHV chamber used for the HREELS experiments, as described previously [45], is a three-level stainless steel chamber (base pressure 3 9 10 -10 Torr) equipped with AES and TPD in the top two levels and a LK3000 HREELS unit in the bottom level. The HREELS spectra reported here were acquired with a primary beam energy of 6 eV.…”