Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects

This report has described the use of adsorption induced changes in the anisotropy of normal incidence electroreflectance on single crystal silver to empha- size

a nega- tive spin polarization in the vacuum region but the sign reversed to positive spin character at the surface layer-vacuum boundery ; (2) angular resolved photoe-

While our previous SEDC-DFT calculations [ 15 ] for this system were carried out at the level of the dispersion-correction scheme by Tkatchenko and Scheffler (TS) [ 12 ], we now

Based on these accurate experimental benchmarks for a prototypical molecule- solid interface, we demonstrate that recently developed first-principles calculations that

lar resolved images of the pure H 2 O wetting layer and an analysis of its stability and phase transformations we present here the key elements of the molecular structures of the

In contrast, on coinage metal surfaces the benzene molecule adsorbs almost flat (Fig. This qualitative difference in the equilibrium geometry between chemisorbed and physisorbed

L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des

The good agreement between the ellipsometric measurements performed as a function of temperature and those obtained elsewhere with variable wavelengths show that the