▪ Abstract We review here the theory of the early stages of oxidation of the (110) surface of
Ni1− x Al x, based on ab initio calculations using a plane-wave pseudopotential method …

Self-assembly is an effective strategy for the creation of periodic structures at the nanoscale.
However, because microelectronic devices use free-form design principles, the insertion …

In crystalline materials, the presence of surfaces or interfaces gives rise to crystal truncation
rods (CTRs) in their X‐ray diffraction patterns. While structural properties related to the bulk …

The well-ordered aluminum oxide film formed by oxidation of the NiAl (110) surface is the
most intensely studied metal surface oxide, but its structure was previously unknown. We …

The oxidation of Pd (111) leads to an incommensurate surface oxide, which was studied by
the use of scanning tunneling microscopy, surface x-ray diffraction, high resolution core level …

The optimal geometries, thermodynamic properties, and electronic structures of Ni Al
(110)∕ Cr (110) interface are studied using a first-principle density functional plane-wave …

Abstract Interfacial properties of Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1)
interface were researched by first-principles calculations to investigate the reason that Ag …

To maximize energy efficiency, gas turbine engines used in airplanes and for power
generation operate at very high temperatures, even above the melting point of the metal …

NiAl surfaces frequently serve as a platform for studying a broad range of physical and
chemical phenomena including chemisorption, catalysis, oxidation, alloy growth, and …

The complexity of the geometric and electronic structure of boron allotropes is associated
with the multicentric bonding character and the consequent B polymorphism. When growth …