Entropy‐driven surface segregation of Pt in PtRh alloys

Surface segregation in binary alloys

(100) surface segregation in Cu-Ni alloys.

Molecular-dynamics study of surface segregation in liquid semiconductor alloys

We report the results of a molecular-dynamics study of the surface tension and surface profile of liquid Si and Ge (l -Si and l -Ge! and their alloys using empirical Stillinger-Weber potentials. The calculations are carried out at two temperatures slightly above the melting temperatures of Si and Ge and the alloys Si 0.8Ge 0.2 and Si 0.2Ge 0.8 . They show clear evidence of surface segregation b...

High-Throughput Characterization of Surface Segregation in CuxPd1 x Alloys

High-Throughput Characterization of Surface Segregation in CuxPd1 x Alloys Deepika Priyadarshini, Petro Kondratyuk, Yoosuf N. Picard, Bryan D. Morreale, Andrew J. Gellman, and James B. Miller* National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236, United States Department of Chemical Engineering and Department of Materials Science and Engineering, Carn...

Water adsorption on bimetallic PtRu/Pt(111) surface alloys.

The adsorption of water on bimetallic PtRu/Pt(111) surface alloys has been studied based on periodic density functional theory calculations including dispersion corrections. The Ru atoms of the PtRu surface alloy interact more strongly with water than Pt atoms, as far as both single water molecules and ice-like hexagonal structures are concerned. Within the surface alloy layer, the lateral liga...