The spin-polarized calculations in generalized gradient approximation density–functional theory (GGA–DFT) have been used to show how the existence of second metals can modify the atomic hydrogen adsorption on Au (100), Cu (100), and Pt (100) surfaces. The computed adsorption energies for the atomic hydrogen adsorbed at the surface coverage of 0.125 ML (monolayer) for the monometallic Au (100), ...

Pulsed laser deposition (PLD) has been used to grow epitaxially oriented thin films of Cu and Pt on (100)-oriented substrates of both SrTiO3 and LaAlO3. The resulting films have been characterized for their crystalline orientations using x-ray diffraction (XRD) and for their surface morphologies using atomic force microscopy (AFM). The diffraction results illustrated that purely epitaxial Cu(10...

Quasi-operando electrochemical scanning tunneling microscopy (ECSTM) recently showed that a polycrystalline Cu electrode kept in 0.1 M KOH at -0.9 V (SHE), a potential very close to that for electrochemical CO reduction, underwent a two-step surface reconstruction, initially to Cu(111), or Cu(pc)-[Cu(111)], and terminally to Cu(100), or Cu(pc)-[Cu(100)]. When subjected to monolayer-limited Cu(s...

We have studied the adsorption of O2 on the Cu(100) surface using both static potential energy surface (PES) calculations and ab initio molecular dynamics. The dynamical calculations complement the PES results, revealing steering effects which could not be predicted based on the static calculations only. We study the effect of oxidation and Ag doping on O2 adsorption dynamics. The results are d...

Temperature programmed desorption methods have been used to probe the enantioselectivity of achiral Cu(100), Cu(110), and Cu(111) single crystal surfaces modified by chiral organic molecules including amino acids, alcohols, alkoxides, and amino-alcohols. The following combinations of chiral probes and chiral modifiers on Cu surfaces were included in this study: propylene oxide (PO) on L-alanine...