Potential Energy Surface of NO on Pt(997): Adsorbed States and Surface Diffusion : Table 1

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	(N–O) (cm⁻¹)		Adsorption energy (eV)	Abbreviation
Adsorption site	Observed	Calculated*	Adsorption energy (eV)	Abbreviation

Hollow (terrace)		1512 (fcc)	2.09 (fcc)	HT
Hollow (terrace)		1539 (hcp)	1.92 (hcp)	HT
On-top (terrace)		1683	1.61	OT
Bridge (upper step)		1607	2.49	BS
Hcp-hollow (lower step)	—	1188	0.87	—
Fcc-hollow (lower step)		—	—	HS