Water adsorption on bimetallic PtRu/Pt(111) surface alloys
نویسندگان
چکیده
منابع مشابه
Water adsorption on bimetallic PtRu/Pt(111) surface alloys.
The adsorption of water on bimetallic PtRu/Pt(111) surface alloys has been studied based on periodic density functional theory calculations including dispersion corrections. The Ru atoms of the PtRu surface alloy interact more strongly with water than Pt atoms, as far as both single water molecules and ice-like hexagonal structures are concerned. Within the surface alloy layer, the lateral liga...
متن کاملHydrogen adsorption on bimetallic PdAu(111) surface alloys: minimum adsorption ensemble, ligand and ensemble effects, and ensemble confinement.
The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on...
متن کاملSurface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys.
Periodic, self-consistent DFT-GGA calculations are used to study the thermochemical properties of both surface and subsurface atomic hydrogen on a variety of pure metals and near-surface alloys (NSAs). For surface hydrogen on pure metals, calculated site preferences, adsorption geometries, vibrational frequencies, and binding energies are reported and are found to be in good agreement with avai...
متن کاملPolarization-dependent water adsorption on the LiNbO3(0001) surface
The effect of ferroelectric poling on the adsorption characteristics of water at lithium niobate surfaces is investigated by ab initio calculations. Thereby we model the adsorption of H2O monomers, small water clusters, and water thin films on the LiNbO3(0001) surface. The adsorption configuration and energy are determined as a function of the surface coverage on both the positive and negative ...
متن کاملHigh Surface Reactivity and Water Adsorption on NiFe2O4 (111) Surfaces
Transition metal-doped ferrites are attractive candidates for a wide range of applications including catalysis and electronic and magnetic devices. Although their bulk characteristics are well-understood, very little is known about their surface properties at the molecular level. Here, we demonstrate high reactivity of NiFe2O4 (111) surfaces, a Nidoped ferrite, by elucidating the surface struct...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
سال: 2016
ISSN: 1364-5021,1471-2946
DOI: 10.1098/rspa.2016.0618