The chemisorption of CO on the (100) surface of Ni has been studied using an Nit, cluster and generalized valence bond (GVB) methods. CO is found to bond perpendicular to the Ni surface with optimized Ni-C and C-O bond distances of 1.94 and 1.15 A, respectively. The cakulated Ni-CO bond strength is 29.7 kcal (experimental values 30-32 kcal). Vibrational frequencies are calculated to be 401 cm-’...

The adsorption configurations of N-methylpyrrole on Si(111)-737 were investigated using high-resolution electron energy-loss spectroscopy, x-ray photoelectron spectroscopy ~XPS!, scanning tunneling microscopy ~STM!, and density function theory calculations. Compared to physisorbed N-methylpyrrole, chemisorbed molecules present a different vibrational feature at 2886 cm attributable to n@(Si)C-H...

Langmuir-Blodgett transfer of octanedecanethiol (Cl&H) containing monolayers onto gold-coated glass slides under potentiostatic conditions leads to a quantitative characterization of Cl&H chemisorption on gold. The thiol-gold bond involves a partial electron transfer from sulfur to the gold substrate. The CL$H partial charge number was determined to vary linearly with the potential of gold subs...

X-ray photoelectron and high resolution electron energy loss spectroscopic (XPS-HREELS) studies have shown that the adsorption of carbon dioxide at Mg(100) surfaces at 80K is followed by a dissociative reaction leading to the formation of a metastable surface carbonate above 80K. The formation of a carbonate species is proposed to proceed through oxidation of C0 (g) by an active oxygen su...

grenzen gedacht werden. An der Reinphase des EuO sowie an dem mit 3 % EU2O3 vermischten Monoxid wurde die Aktivierungsenergie im Bereich 300 °C bis 200 °C bestimmt und in Tab. 3 zusammengestellt. Man erkennt hieraus, daß die durch Chemisorption der Donatoren CO" hervorgerufene Verarmung der Randschicht an Ladungsträgern mit einer Zunahme der Aktivierungsenergie verbunden ist. Deshalb muß angeno...

Chemisorption on a model bee metal*t W. Ho, S. L. Cunninghamt, and W. H. Weinberg Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125 (Received 4 September 1975; in final form 2 October 1975) PACS numbers: 82.65.M, 73.20. The system considered here is that of a single atom with one energy level chemisorbed on the (001) surface of a mode...