By maintaining α-Ag(DM)(2) (DM = C(10)H(8)N(4)) around room temperature (RT) ([Formula: see text]) during ultraviolet-visible (UV-vis) irradiation, a series of photochemical products named β was obtained. The solid β was comprised of structurally different compounds. All of the solid β phases share the original chemical formula of Ag(DM)(2) and exhibit semiconducting behaviour, yet they differ ...

A nondestructive integrated CT-XRD method has been developed and used to study hydrated cement system. In this research, a beam line (BL) at the third-generation synchrotron radiation facility, SPring-8, in Japan, was used. First, X-ray computed tomography (CT) was employed to obtain three-dimensional (3D) images and select a region of interest (ROI) in a given plane section of the hardened cem...

Binary oxides of Mg and Ti were prepared by the sol-gel technique in various Mg/Ti atomic ratios, r. Metastable phases, produced between 873 and 973 K from xerogels with Mg/Ti atomic ratios in the range ~1.1 < r ≤ 2, were studied by XRD and ND. XRD analysis showed crystal structures similar to that of Mg2TiO4 (qandilite), an inverse spinel of cubic structure. The composition range where this oc...

We report a strategy for structure determination of organic materials in which complete solid-state nuclear magnetic resonance (NMR) spectral data is utilized within the context of structure determination from powder X-ray diffraction (XRD) data. Following determination of the crystal structure from powder XRD data, first-principles density functional theory-based techniques within the GIPAW ap...

OBJECTIVES It is important to characterize the surface of dental amalgam in order to understand the process of mercury release from amalgam restorations in the oral cavity. The mercury evaporation occurs not only from the newly made restoration but also from the set material. METHODS The surfaces of four different types of amalgams, which had been well set, were analyzed with X-ray photoelect...

We present a modeling scheme to analyze cagelike silica mesoporous crystals based on in situ X-ray diffraction (XRD) data collected during gas adsorption-desorption (physisorption) processes. Nitrogen physisorption on a silica mesoporous crystal of SBA-16 was directly monitored by using synchrotron in situ powder XRD measurements conducted at SPring-8. SBA-16 is a well-ordered mesoporous silica...

The Mars Science Laboratory landed in Gale crater on Mars in August 2012, and the Curiosity rover then began field studies on its drive toward Mount Sharp, a central peak made of ancient sediments. CheMin is one of ten instruments on or inside the rover, all designed to provide detailed information on the rocks, soils and atmosphere in this region. CheMin is a miniaturized X-ray diffraction/X-r...

Zuotai (gTso thal) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were u...

Epitaxial multilayers and superlattice (SL) structures are gaining increasing importance as they offer the opportunity to create artificial crystals with new functionalities. These crystals deviate from the parent bulk compounds not only in terms of the lattice constants but also in the symmetry classification, which renders calculation of their X-ray diffraction (XRD) patterns tedious. Neverth...