Molecular dynamics simulations are performed to study the crystallization of formamidinium lead iodide. From all-atom simulations of the crystal growth process and the delta-alpha-phase transitions, we try to reveal the formation of various stack-faulted i ...
Protein crystallography and biochemical assays reveal that the organometallic drug, [Ru(eta(6)-p-cymene)Cl-2(pta)] (RAPTA-C), preferentially binds to nucleosomal histone proteins in chromatin. To better understand the binding mechanism we report here a mas ...
The photodehydrogenation of ethanol is a sustainable and potentially cost-effective strategy to produce hydrogen and acetaldehyde from renewable resources. The optimization of this process requires the use of highly active, stable and selective photocataly ...
We investigate the presence of a surface species for the active pharmaceutical ingredient (API) AZD9496 with dynamic nuclear polarization surface enhanced nuclear spectroscopy (DNP SENS). We show that using DNP we can elucidate the presence of an amorphous ...
Two new ferrito-martensitic oxide dispersion strengthened (ODS) steels reinforced with (Y, Ti, O) nanoparticles were elaborated using a high-energy attritor. The milled powder was consolidated by hot extrusion at 1050 degrees C. The two types of ODS steels ...
The complexes Pd-II(qcq)(OAc) and Pt-II(qcq)Cl have been synthesized using environmentally benign synthesized ligands and characterized by elemental analyses: Fourier transform infrared spectroscopy, UV-visible spectroscopy, H-1 NMR spectroscopy, and X-ray ...
The propagation of fluid driven fractures is used in a number of industrial applications (well stimulation of unconventional reservoirs, development of deep geothermal systems) but also occurs naturally (magmatic dyke intrusion). While the mechanics of hyd ...
Additions of slag are usually considered to give cementitious materials which perform well in sulfate bearing environments. This paper compares the deterioration of slag cement blends to those of plain Portland cement and demonstrates that this occurs more ...
We report the successful application of a templating approach employing ordered mesoporous carbon to the synthesis of BiVO4, Bi2Mo3O12, and Bi0.85V0.55Mo0.45O4 and the performance of these materials as catalysts for the oxidation of propene to acrolein. Or ...
Recent experimental measurements of the equation of state of perovskites and post-perovskites in the (Mg,Fe)SiO3 and (Mg,Fe,Al)(Fe,Al,Si)O-3 systems over a wide range of iron contents are used to constrain the effects of Fe and Al on density and bulk modul ...
In this contribution I summarize our research on the formation of nanoparticles embedded in a-SiO2-x matrices. In particular, I focus on the Si diffusion in SiO2-x matrices, and amorphous-to-crystalline phase transition in Si nanoparticles embedded in SiO2 ...
We report Raman-scattering data of single crystals of magnetite (Fe3O4) with Verwey transition temperatures (T-v) of 123 and 117 K, respectively. Both single crystals reveal broad electronic background extending up to 900 wave numbers (similar to 110 meV). ...
Computational and experimental demonstration of dendritic crystal growth direction and the morphologic diversity of the resulting dendritic structures are discussed. The primary dendrite growth directions can vary continuously between different crystallogr ...
We report specific-heat measurements at magnetic fields up to 20 T on the recently discovered superconductor SmFeAsO0.85F0.15. The B-T diagram of a polycrystalline SmFeAsO0.85F0.15 sample with T-c=46 K was investigated. The temperature dependence of B-c2 w ...
We measured the ultrafast optical response of metal-dielectric superlattices by broadband all-optical pump-probe spectroscopy. The observed phase of the superlattice mode depends on the probe wavelength, making assignments of the excitation mechanism diffi ...
