Daniel Albarnaz Farias

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The Born-Oppenheimer approximation of uncoupled electronic and nuclear motion is a standard tool of the computational chemist. However, its validity for molecule-metal surface reactions, which are important to heterogeneous catalysis, has been questioned because of the possibility of electron-hole pair excitations. We have performed experiments and(More)
We present a combined experimental and theoretical study of the diffraction of H(2) from Ru(0001) in the incident energy range 78-150 meV, and a theoretical study of dissociative chemisorption of H(2) in the same system. Pronounced out-of-plane diffraction was observed in the whole energy range studied. The energy dependence of the elastic diffraction(More)
A pseudomorphic high-electron mobility transistor (pHEMT) technology for highly integrated wireless components is presented. The technology utilizes 0.5-/spl mu/m gate length, double recess enhancement- and depletion-mode GaAs/AlGaAs/InGaAs transistors. The nominal E-mode pinch-off voltage is +350 mV with IMAX and IDSS of 290 and 0.0005 mA/mm, respectively,(More)
The dissociative adsorption of molecular hydrogen on Pd(x)Ru(1-x)/Ru(0001) (0 ≤ x ≤ 1) has been investigated by means of He atom scattering, Density Functional Theory and quasi-classical trajectory calculations. Regardless of their surroundings, Pd atoms in the alloy are always less reactive than Ru ones. However, the reactivity of Ru atoms is enhanced by(More)
Nearly two-dimensional (2D) metallic systems formed in charge inversion layers and artificial layered materials permit the existence of low-energy collective excitations, called 2D plasmons, which are not found in a three-dimensional (3D) metal. These excitations have caused considerable interest because their low energy allows them to participate in many(More)
By means of a combination of surface-science spectroscopies and theory, we investigate the mechanisms ruling the catalytic role of epitaxial graphene (Gr) grown on transition-metal substrates for the production of hydrogen from water. Water decomposition at the Gr/metal interface at room temperature provides a hydrogenated Gr sheet, which is buckled and(More)
The phonon dynamics of the Sn/Ge(111) interface is studied using high-resolution helium atom scattering and first-principles calculations. At room temperature we observe a phonon softening at the Kmacr; point in the (sqrt[3]xsqrt[3])R30 degrees phase, associated with the stabilization of a (3x3) phase at low temperature. That phonon band is split into three(More)
High-resolution angular distributions of D(2) scattered from NiAl(110) have been measured at incident energies between 20 and 150 meV. The measurements were performed along the [110] azimuth using a high sensitivity time-of-flight apparatus, which allows the recording of diffraction channels not previously studied, including out-of-plane rotationally(More)
The reactivity of Cu monolayer (ML) and bilayer films grown on Ru(0001) towards O(2) and H(2) has been investigated. O(2) initial sticking coefficients were determined using the King and Wells method in the incident energy range 40-450 meV, and compared to the corresponding values measured on clean Ru(0001) and Cu(111) surfaces. A relative large O(2)(More)
The study of surface phonon dispersion curves is motivated by the quest for a detailed understanding of the forces between the atoms at the surface and in the bulk. In the case of graphene, additional motivation comes from the fact that thermal conductivity is dominated by contributions from acoustic phonons, while optical phonon properties are essential to(More)