Abstract

A cesiated surface model was considered to study the dynamics of hydrogen atom scattering using a semiclassical collisional method. Using dipole correction method, the work function of the considered surface, is calculated to be 1.81eV (± 0.02) eV. The Potential Energy Surface for the interaction of H atoms with the surface was determined via first principle electronic structure calculations including the interaction with both Cs and Mo atoms of the surface. We found the scattered H atoms to have a negative partial charge of nearly 0.4 with the backscattered flux arising mainly from H atoms impinging directly (or very close) to Cs atoms on the surface. On the contrary, H atoms impinging in the voids between the Cs atoms propagate through the first Cs layer and remain adsorbed. The propagation occurs mainly in the vertical direction. The scattering probability after a very quick increase remains almost constant around an average value of 0.35.

Autore Pugliese

• Rutigliano Maria

Tutti gli autori

• M. Rutigliano; A. Palma; N. Sanna

Titolo volume/Rivista

Surface science

Anno di pubblicazione

2017

ISSN

0039-6028

ISBN

Non Disponibile

Numero di citazioni Wos

Nessuna citazione

Ultimo Aggiornamento Citazioni

Non Disponibile

Numero di citazioni Scopus

Non Disponibile

Ultimo Aggiornamento Citazioni

Non Disponibile

Settori ERC

Non Disponibile

Codici ASJC

Non Disponibile