Dual-Path Mechanism for Catalytic Oxidation of Hydrogen on Platinum Surfaces

The catalytic formation of water from adsorbed hydrogen and oxygen atoms on Pt(111) was studied with scanning tunneling microscopy and high resolution electron energy loss spectroscopy. The known complexity of this reaction is explained by the strongly temperature dependent lifetime of the product H2O molecules on the surface. Below the desorption temperature water reacts with unreacted O adatoms to OHad, leading to an autocatalytic process; at higher temperatures sequential addition of H adatoms to Oad with normal kinetics takes place

Open t-J chain with boundary impurities

We study integrable boundary conditions for the supersymmetric t-J model of correlated electrons which arise when combining static scattering potentials with dynamical impurities carrying an internal degree of freedom. The latter differ from the bulk sites by allowing for double occupation of the local orbitals. The spectrum of the resulting Hamiltonians is obtained by means of the algebraic Bethe Ansatz.Comment: LaTeX2e, 9p

Friedel oscillations in one-dimensional metals: from Luttinger's theorem to the Luttinger liquid

Charge density and magnetization density profiles of one-dimensional metals are investigated by two complementary many-body methods: numerically exact (Lanczos) diagonalization, and the Bethe-Ansatz local-density approximation with and without a simple self-interaction correction. Depending on the magnetization of the system, local approximations reproduce different Fourier components of the exact Friedel oscillations.Comment: 3 pages, 3 figures, Manuscript accepted by Journal of Magnetism and Magnetic Materials, special issue for LAWMMM 2007 conferenc

Vibrational and structural properties of OH adsorbed on Pt(111)

OH species adsorbed on Pt(111) were studied in a combined investigation using scanning tunneling microscopy (STM) and high-resolution electron energy loss spectroscopy (HREELS). OH was formed by two different reactions, by reaction of H2O with O, and as an intermediate in the reaction of O with hydrogen to H2O. In both cases, two ordered OH phases were observed, a (√3×√3)R30° and a (3×3) structure, for which models are proposed. Both structures have OH coverages of 2/3, and their formation is driven by hydrogen bond formation between the adparticles; the OH adsorption site is most likely on top. OH molecules at defects in the adlayer, in particular at island edges, are spectroscopically distinguishable and contribute significantly to the vibrational spectra in disordered OH layers. This is important for the water formation reaction, where the OH islands are small. The discrepancies between previous HREELS studies on OH can be explained by the different degree of order under the various formation conditions

New solutions to the Reflection Equation and the projecting method

New integrable boundary conditions for integrable quantum systems can be constructed by tuning of scattering phases due to reflection at a boundary and an adjacent impurity and subsequent projection onto sub-spaces. We illustrate this mechanism by considering a gl(m<n)-impurity attached to an open gl(n)-invariant quantum chain and a Kondo spin S coupled to the supersymmetric t-J model.Comment: Latex2e, no figure

Quantum integrability and exact solution of the supersymmetric U model with boundary terms

The quantum integrability is established for the one-dimensional supersymmetric $U$ model with boundary terms by means of the quantum inverse scattering method. The boundary supersymmetric $U$ chain is solved by using the coordinate space Bethe ansatz technique and Bethe ansatz equations are derived. This provides us with a basis for computing the finite size corrections to the low lying energies in the system.Comment: 4 pages, RevTex. Some cosmetic changes. The version to appear in Phys. Rev.

Integrability of the Heisenberg Chains with Boundary Impurities and Their Bethe Ansatz

In this paper, we show the integrability of spin-1/2 XXZ Heisenberg chain with two arbitrary spin boundary Impurities. By using the fusion method, we generalize it to the spin-1 XXZ chain. Then the eigenvalues of Hamiltonians of these models are obtained by the means of Bethe ansatz method.Comment: 13 pages, latex, no figures, to be appeared in J.Phys.

Friedel Oscillations in the Open Hubbard Chain

Using the Density Matrix Renormalization Group (DMRG), we calculate critical exponents for the one-dimensional Hubbard model with open boundary conditions with and without additional boundary potentials at both ends. A direct comparison with open boundary condition Bethe Ansatz calculations provides a good check for the DMRG calculations on large system sizes. On the other hand, the DMRG calculations provide an independent check of the predictions of Conformal Field Theory, which are needed to obtain the critical exponents from the Bethe Ansatz. From Bethe Ansatz we predict the behaviour of the 1/L-corrected mean value of the Friedel oscillations (for the density and the magnetization) and the characteristic wave vectors, and show numerically that these conjectures are fulfilled with and without boundary potentials. The quality of the numerical results allows us to determine, for the first time, the behaviour of the coefficients of the Friedel oscillations as a function of the the Hubbard interaction.Comment: 12 pages, 16 figures; submitted to Phys. Rev.

Energetics and Vibrational States for Hydrogen on Pt(111)

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.Comment: In press at Phys. Rev. Lett - to appear in April 200