“…In this field, most of the attention has been focused on surface reactivity and the nature of the adsorbed species. For instance, as a representative model of aromatic compound adsorption, benzene adsorption on Si(100)-2×1 was extensively studied by theoretical − methods as well as experimental approaches: High-resolution electron energy loss spectroscopy (HREELS), , infrared spectroscopy, photoemission, − near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, , optical spectroscopies, thermal desorption spectroscopy (TDS), , and scanning tunneling microscopy (STM). − These studies were essentially concerned with the geometry of the adsorbed benzene. Two adsorption configurations were mainly discussed: the tight-bridge (TB) configuration that is tetra-σ bonded on two adjacent dimers (see Figure a) and the butterfly (BF) configuration that is di-σ bonded on one dimer (see Figure b,c).…”