The oxidation and corrosion of metals are fundamental problems in materials science and
technology that have been studied using a large variety of experimental and computational …

Alkali-metal (AM) atoms adsorbed on single-crystal surfaces are a model system for
understanding the properties of adsorption. AM adsorption, besides introducing new …

Using density-functional theory within the generalized gradient approximation, we
investigate the interaction between atomic oxygen and Cu (100) and Cu (110) surfaces. We …

Surface oxidation of Cu (100) has been investigated by variable temperature scanning
tunneling microscopy and quantitative x-ray photoelectron spectroscopy as a function of O 2 …

Oxidation resistance determines the applicability in high temperature atmospheric
environment of the novel heat-resisting cuboidal L1 2-γ'phase coherent precipitation …

Density-functional theory is used to evaluate the mechanism of copper surface oxidation.
Reaction pathways of O 2 dissociation on the surface and oxidation of the sub-surface are …

An extensive study of adsorption and diffusion of O, O 2, OH and H 2 O on C u (100)
surfaces was performed by means of DFT calculations. The adsorption distances and …

Surface defects such as step edges play an important role in determining the surface
properties, affecting immensely the growth mechanisms and morphologies of the …

Density-functional theory (DFT) simulations corrected by the intramolecular Coulomb
repulsion U are performed to evaluate the vibrational inelastic electron tunneling …

Adsorption dynamics of O 2 on Cu (100) and on reconstructed Cu (100)-(2 2× 2) R 45°-O at
300 and 553 K have been investigated by employing a supersonic molecular-beam surface …