The Adsorption of Atomic Nitrogen on Ru(0001): Geometry and Energetics
S. Schwegmann, A. P. Seitsonen, H. Dietrich, H. Bludau, H. Over, K. Jacobi, G. Ertl
Abstract
The local adsorption geometries of the (2x2)-N and the (sqrt(3)x sqrt(3))R30o -N phases on the Ru(0001) surface are determined by analyzing low-energy electron diffraction (LEED) intensity data. For both phases, nitrogen occupies the threefold hcp site. The nitrogen sinks deeply into the top Ru layer resulting in a N-Ru interlayer distance of 1.05 AA and 1.10 AA in the (2x2) and the (sqrt(3)x sqrt(3))R30o unit cell, respectively. This result is attributed to a strong N binding to the Ru surface (Ru--N bond length = 1.93 AA) in both phases as also evidenced by ab-initio calculations which revealed binding energies of 5.82 eV and 5.59 eV, respectively.
Create a lesson
Related papers
Thermally enhanced magnon-phonon resonance in van der Waals antiferromagnet FePS3
Kai-Xuan Zhang, Beom Hyun Kim, Seungbok Lee et al.
Orbital Hall effect from the Wannier function approach
Tapesh Gautam, S. Satpathy
greenWTE: Frequency-domain solver for the phonon Wigner Transport Equation with arbitrary heating using Green's functions
Laurenz Kremeyer, Bradley J. Siwick, Samuel Huberman
Multiplicity of elastic wave propagation in random polycrystals
Ming Huang, Stanislav I. Rokhlin, Michael J. S. Lowe
Dynamical Phonon Anharmonicity Drives Charge-Density-Wave Softening and Electronic Quasiparticle Decoherence in Monolayer 1H-NbSe2
Yi Xia
Triboelectric nanogenerators across length scales: linking materials, multiscale modelling and applications
MD Tanzib Ehsan Sanglap, Ans Al Rashid, Abdullah Sayam et al.