forthcoming articles
The following articles are a selection of those recently accepted for publication in Journal of Applied Crystallography.
See also Forthcoming articles in all IUCr journals.
computer programs
iQual: a new computer program for qualitative phase analysis with efficient search–match capability
iQual is a computer program that utilizes the optimized Crystal_db database, derived from the Crystallography Open Database, for efficient searching and matching of experimental X-ray diffraction patterns for qualitative phase analysis, employing a two-step approach and matrix operations for enhanced efficiency.
research papers
research papers
Upgrade of crystallography beamline BL19U1 at the Shanghai Synchrotron Radiation Facility
The protein complex crystallography beamline BL19U1 is preparing for the establishment of an automated drug screening platform by upgrading both hardware and data collection control systems to optimize efficiency. The upgrade of the experimental station devices and data collection control system on the BL19U1 beamline are reported in this paper.
short communications
research papers
Energy storage properties influenced by relaxor ferroelectric properties dependent on the growth direction of epitaxial Bi2SiO5 thin films
Bi2SiO5 thin films on Nb-doped (111), (110) and (111) SrTiO3 substrates exhibit ferroelectric and energy storage characteristics influenced by various crystallinities.
research papers
research papers
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation
The possible energies of different active adsorption sites of nanostructured Mo-doped symmetric reduced graphene (rG), Mo-decorated graphene, asymmetric reduced graphene and reduced graphene oxide (rGO) have been calculated using density functional theory. Covalent interactions between Mo and rG/rGO structures resulted in adsorption bonding, enhancing electrical conductivity and making them ideal for eliminating pollutants.
research papers
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering
The high scattering power of a sample at low angles may lead to significant secondary scattering contributions in the measured small- and ultra-small-angle X-ray scattering patterns. A correction procedure is presented for the removal of the excess intensity and to improve the dynamic range of the measurement.
research papers
research papers
Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace
A unique X-ray Laue microdiffraction setup and alignment procedure allowing measurements of microstructure and strain field in polycrystalline specimens at temperatures as high as 1500 K has been developed at beamline BM32, ESRF, making use of a new version of the QMAX furnace.
short communications
computer programs
research papers
X-ray standing wave characterization of the strong metal–support interaction in Co/TiOx model catalysts
Using X-ray standing waves on a thermally stable periodic multilayer evidences the partial coverage of Co nanoparticles by a titanium oxide support in a model catalyst, following high-temperature reduction. The developed approach has potential for fundamental studies in thermally activated surface processes in catalysis, membranes and metallurgy.