Potential Energy Surface of NO on Pt(997): Adsorbed States and Surface Diffusion

Table 1

Adsorbed states of NO on Pt(997). Observed and calculated energies are shown. *Details of DFT calculations are shown in our previous report [16].

Adsorption site	𝑣(N–O) (cm^−1)		Adsorption energy (eV)	Abbreviation
	Observed	Calculated*
Hollow (terrace)	1482∼1484	1512 (fcc)	2.09 (fcc)	HT
		1539 (hcp)	1.92 (hcp)
On-top (terrace)	1689∼1690	1683	1.61	OT
Bridge (upper step)	1610∼1630	1607	2.49	BS
Hcp-hollow (lower step)	—	1188	0.87	—
Fcc-hollow (lower step)	1385∼1396	—	—	HS