Abstract
Molecular adsorbate structures can be determined by combining Low-Energy Electron Diffraction (LEED) with High-Resolution Electron Energy Loss Spectroscopy (HREELS). The HREEL vibrational spectroscopy identifies the molecular species, whose bond lengths and angles are obtained by LEED. Appropriate calculational methods are required in LEED to solve complex molecular structures: such methods will be discussed for large molecules, for large unit cells and for disordered adsorbates. Results have been obtained for the following molecular species adsorbed on several low-Mi11er-index metal surfaces: CO, C2H2, → CCH3, C3H4, → CCH2CH3 and C6H6. The presently available methods should be capable of solving a multitude of molecular adsorbate structures, including large molecules, coadsorbates and disordered species.
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