Ultralow reaction barriers for CO oxidation in Cu-Au nanoclusters.

Systematic structure prediction of CuAu nanoclusters was carried out for a wide compositional area ( + ≤ 15) using the evolutionary algorithm USPEX and DFT calculations. The obtained structural data allowed us to assess the local stability of clusters and their suitability for catalysis of CO oxidation. Using these two criteria, we selected several most promising clusters for an accurate study of their catalytic properties.

Tetrahedral honeycomb surface reconstructions of quartz, cristobalite and stishovite.

Crystalline silica (SiO) is a major material used in many technologies, yet the exact surface structures of silica polymorphs are still mostly unknown. Here we perform a comprehensive study of surface reconstructions of α-cristobalite (001), α-quartz (001) and stishovite (110) and (100) using evolutionary algorithm USPEX in conjunction with ab initio calculations. We found the well-known "dense surface" to be among low-energy reconstructions of α-quartz (001), as well as its previously proposed distorted version, which we call "shifted surface".

Very-large-mode-area photonic bandgap Bragg fiber polarizing in a wide spectral range.

A design of a polarizing all-glass Bragg fiber with a microstructure core has been proposed for the first time. This design provides suppression of high-order modes and of one of the polarization states of the fundamental mode. The polarizing fiber was fabricated by a new, simple method based on a combination of the modified chemical vapor deposition (MCVD) process and the rod-in-tube technique.

SiC/Tb and Si/Tb multilayer coatings for extreme ultraviolet solar imaging.

Narrowband SiC/Tb and Si/Tb multilayers are fabricated with as much as a 23% normal-incidence reflectance near a 60 nm wavelength and spectral bandpass (FWHM) values of 9.4 and 6.5 nm, respectively.