Potential Energy Surface of NO on Pt(997): Adsorbed States and Surface Diffusion
Figure 1
(a) A schematic drawing of Pt(997). (b) A lattice used in the present KMC simulation. The lattice size is about 280 × 280 Å2. Circles of thin lines represent the fcc- and hcp-hollow sites on the terrace, and circles of heavy lines represent the bridge sites on the step, respectively. Although the lattice of the (111) terrace is hexagonal, we virtually deformed the lattice into a tetragonal one to assign adsorption sites with Cartesian coordinates. The coordinates of adsorption sites on the terrace and the step are represented by and , respectively. For example, the coordinates labeled “A” and “B” in the lattice are represented as (1, 4, 1, 0) and (3, 0), respectively [15].
