296 research outputs found
CsCl-type compounds in binary alloys of rare-earth metals with gold and silver
In binary alloys of silver with Sm, Tb, Ho, and Tm, and of gold with Y, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, and Tm, intermediate phases containing stoichiometric proportions of the two metals were found to crystallize into the CsCl (B2)-type structure. The lattice parameters of these phases are reported and a correlation has been found between these lattice parameters and the trivalent ionic radii of the rare-earth metals
NMR Knight shifts and linewidths in the NiâPdâP and NiâPtâP metallic glasses: Composition and temperature dependences
Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on Au(111)
Š 2014 American Chemical Society. The rich stereochemistry of the self-assembled monolayers (SAMs) of four butanethiols on Au(111) is described, the SAMs containing up to 12 individual C, S, or Au chiral centers per surface unit cell. This is facilitated by synthesis of enantiomerically pure 2-butanethiol (the smallest unsubstituted chiral alkanethiol), followed by in situ scanning tunneling microscopy (STM) imaging combined with density functional theory molecular dynamics STM image simulations. Even though butanethiol SAMs manifest strong headgroup interactions, steric interactions are shown to dominate SAM structure and chirality. Indeed, steric interactions are shown to dictate the nature of the headgroup itself, whether it takes on the adatom-bound motif RSâ˘Au(0)Sâ˘R or involves direct binding of RS⢠to face-centered-cubic or hexagonal-close-packed sites. Binding as RS⢠produces large, organizationally chiral domains even when R is achiral, while adatom binding leads to rectangular plane groups that suppress long-range expression of chirality. Binding as RS⢠also inhibits the pitting intrinsically associated with adatom binding, desirably producing more regularly structured SAMs
Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals:âCu-Ag and Cu-Ni
- âŚ