Adiabatic Energy Loss in Hyperthermal H Atom Collisions with Cu and Au: A Basis for Testing the Importance of Nonadiabatic Energy Loss

Abstract

Definitions concerning the scattering of H from the (111) surface of Cu and Au. All calculations discussed in this work are performed for H scattering from the (111) face of either Cu or Au. The incidence angle θ i and the scattering angles θ f and φ f are shown in

Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100)

“…In contrast, the relevance of this dissipation channel in gas-surface interactions that involve energies up to a few eV is not so clear. It depends not only on the specific system, but also on the elementary process considered, as shown by different studies on scattering [5][6][7][8][9][10][11][12] and adsorption [6,[13][14][15][16][17][18][19][20][21][22][23][24][25][26] of atoms and molecules on surfaces. Low-energy e-h pair excitations have been detected as chemicurrents on Schottky diode devices during the chemisorption of atomic and molecular species on metals [13][14][15].…”

Ab initiomolecular dynamics with simultaneous electron and phonon excitations: Application to the relaxation of hot atoms and molecules on metal surfaces

“…In dynamic gas-surface environments, where gas-phase atomic and molecular species impinge on the surface at energies of the order of up to a few eV, energy dissipation occurs by the excitation of electron-hole (e-h) pairs and the excitation of lattice vibrations, i.e., phonons [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17]. In the adsorption processes of atomic and molecular species, dissociative as well as nondissociative, the species trapped by the surface gradually lose their energy until they become thermalized on the surface.…”

Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

“…For hydrogen atoms and molecules interacting with metallic surfaces at low coverage, for which collisions with pre-adsorbed species are unlikely, the main energy dissipation channel in the picosecond time scale is the excitation of low lying e-h pairs. [45][46][47][48][49][50][51][52] As such an effect depends on the surface electronic structure, its sensitivity to the crystal face is a relevant issue that we address in the present study. To this end, we compare, in the following, the dynamics of H 2 formation by abstraction of pre-adsorbed H atoms upon H atom scattering at finite coverage for the W(100) and W(110) surfaces.…”

“…65,66 Dissipation to surface phonons is neglected here as dissipation to electrons has been recently predicted to largely dominate the relaxation of hydrogen on metals in the sub-picosecond time scale. [45][46][47][48] As a result of H-atom scattering, recombination may occur via three different processes: ER abstraction is assumed when the formed molecule moves definitively toward the vacuum after the first rebound of the projectile. 37 Otherwise, abstraction is considered as primary HA process.…”