Figure 1

LEED patterns of C${}_{60}$/Pt(111) in (a) the $(\sqrt{13}\times \sqrt{13})R13.9^{\circ }$ phase (at 37.2 eV) and (b) the $(2\sqrt{3}\times 2\sqrt{3})R{30}^{\circ }$ phase (at 15.3 eV). Also shown are the corresponding real-space supercells (doubled in both directions for ease of viewing) of the final determined structures in the (c) $\sqrt{13}$ and (d) $2\sqrt{3}$ phases, respectively [C (Pt) atoms are colored gray (blue)]. To display the C${}_{60}$/Pt interface clearly, the lower C${}_{60}$ molecules include only their bottom part; each C${}_{60}$ sits above a Pt vacancy. Panels (e) and (f) show the inter-C${}_{60}$ face-to-face contacts viewed parallel to the surface. In (a), green and red rhombi denote two symmetrically equivalent mirrored domains and the blue line indicates the mirror plane; in (c), only one of the two mirrored domains is shown (while mirroring leaves the $2\sqrt{3}$ structure invariant).Reuse & Permissions

Figure 2

Experimental (bold lines) and fitted $I$-$V$ curves for the $\sqrt{13}$ (left) and $2\sqrt{3}$ (right) phases. Individual beam $R$ factors are given. The overall $R$ factor is 0.406 for the $\sqrt{13}$ phase and 0.370 for the $2\sqrt{3}$ phase.Reuse & Permissions

Figure 3

PDOS of C${}_{60}$ in the $\sqrt{13}$ and $2\sqrt{3}$ phases both (a) and (b) without and (c) and (d) with Pt substrate [red lines are the PDOS (divided by 5) of the complete C${}_{60}$; green lines are the PDOS of the bottom 6 carbons that bind with Pt; blue lines are the PDOS (divided by 2) of the middle 18 carbons near the C${}_{60}$ equator, bordering neighboring molecules; and $p_{\mathrm{x},\mathrm{y}}$ are $p$ orbitals along the surface parallel directions]. A smaller ordinate range is used in the PDOS plots for C${}_{60}$ with Pt relative to those without Pt due to the larger peak broadening and hence smaller peak height with Pt. Also shown are the band structures of C${}_{60}$ LUMOs in the (e) $\sqrt{13}$ and (f) $2\sqrt{3}$ phases without Pt substrate (see the text).Reuse & Permissions

Figure 4

C${}_{60}$ LUMO wave function plots at several special $K$ points (indicated by arrows) for C${}_{60}$ in the $2\sqrt{3}$ (left) and $\sqrt{13}$ (right) phases; the lines across C${}_{60}$ denote nearest inter-C${}_{60}$ directions.Reuse & Permissions