Abstract: Graphene sheets have been functionalized with a PAMAM dendron, finding that graphene can be efficiently functionalized all over the surface, or only at the edges, depending on the reactions used in the functionalization process.

Abstract: Uncovering an efficient and stable photocatalytic system for seawater splitting is a highly desirable but challenging goal. Herein, Cd0.2Zn0.8S@Silicalite-1 (CZS@S-1) composites, in which CZS is embedded in the hierarchical zeolite S-1, were prepared and show remarkably high activity, stability and salt resistance in seawater.

Abstract: A facile high-viscosity-solvent method is presented to synthesize PtPd bimetallic nanocrystals highly dispersed in different mesostructures (2D and 3D structures), porosities (large and small pore sizes), and compositions (silica and carbon). Further, highly catalytic activity, stability and durability of the nanometals have been proven in different catalytic reactions.

Abstract: We have developed a general protocol for the preparation of hybrid nanostructures formed by nanoparticles (NPs) of molecule-based magnets based on Prussian Blue Analogues (PBAs) decorated with plasmonic Au NPs of different shapes. By adjusting the pH, Au NPs can be attached preferentially along the edges of the PBA or randomly on the surface. The protocol allows tuning the plasmonic properties of the hybrids in the whole visible spectrum.

Abstract: The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria.

Abstract: The size, morphology and configuration of Ni4Ti3 precipitates in a single-crystal NiTi alloy have been investigated by two-dimensional transmission electron microscopy-based image analysis and three-dimensional reconstruction from slice-and-view images obtained in a focused ion beam/scanning electron microscopy (FIB/SEM) dual-beam system. Average distances between the precipitates measured along the compression direction correlate well between both techniques, while particle shape and configuration data is best obtained from FIB/SEM. Precipitates form pockets of B2 of 0.54 ìm in the compression direction and 1 ìm perpendicular to the compression direction.

Abstract: First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed.

Abstract: Fe(2)C plays a crucial role in the precipitation of iron carbides. Jack's structural models for epsilon-Fe(2)C, and non-stoichiometric epsilon-Fe(2.4)C, are analyzed using first-principles calculations. Several new configurations of epsilon-Fe(2)C with even higher stability are found. We show how epsilon-Fe(2)C transforms into eta-Fe(2)C, and address the structural relationships with the chi-Fe(5)C(2), theta-Fe(3)C and Fe(7)C(3) phases. The relative occurrence of these phases in steel, as well as their probable evolution during tempering of quenched steels, is discussed. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Abstract: Uniaxial straining experiments were performed on a rolled and annealed Si-alloyed TRIP (transformation-induced plasticity) steel sheet in order to assess the role of its microstructure on the mechanical stability of austenite grains with respect to martensitic transformation. The transformation behavior of individual metastable austenite grains was studied both at the surface and inside the bulk of the material using electron back-scattered diffraction (EBSD) and X-ray diffraction (XRD) by deforming the samples to different strain levels up to about 20%. A comparison of the XRD and EBSD results revealed that the retained austenite grains at the surface have a stronger tendency to transform than the austenite grains in the bulk of the material. The deformation-induced changes of individual austenite grains before and after straining were monitored with EBSD. Three different types of austenite grains can be distinguished that have different transformation behaviors: austenite grains at the grain boundaries between ferrite grains, twinned austenite grains, and embedded austenite grains that are completely surrounded by a single ferrite grain. It was found that twinned austenite grains and the austenite grains present at the grain boundaries between larger ferrite grains typically transform first, i.e. are less stable, in contrast to austenite grains that are completely embedded in a larger ferrite grain. In the latter case, straining leads to rotations of the harder austenite grain within the softer ferrite matrix before the austenite transforms into martensite. The analysis suggests that austenite grain rotation behavior is also a significant factor contributing to enhancement of the ductility. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Abstract: The mechanical behaviour of thin nanocrystalline palladium films with an ∼30 nm in plane grain size has been characterized on chip under uniaxial tension. The films exhibit a large strain hardening capacity and a significant increase in the strength with decreasing thickness. Transmission electron microscopy has revealed the presence of a moderate density of growth nanotwins interacting with dislocations. A semi-analytical grain aggregate model is proposed to investigate the impact of different contributions to the flow behaviour, involving the effect of twins, of grain size and of the presence of a thin surface layer. This model provides guidelines to optimizing the strength/ductility ratio of the films.

Abstract: The atomic configurations at macrotwin interfaces between microtwinned martensite plates in Ni65Al35 material are investigated using transmission electron microscopy. The observed structures are interpreted in view of possible formation mechanisms for these interfaces. A distinction is made between cases in which the microtwins, originating from mutually perpendicular {110} austenite planes, enclose a final angle larger or smaller than 90degrees. Two different configurations, a crossing and a step type are described. Depending on the actual case, tapering, bending and tip splitting of the smaller microtwinvariants are observed. The most reproducible deformations occur in a region of approximately 5-10 nm width around the interface while a variety of structural defects are observed further away from the interface. These structures and deformations are interpreted in terms of the coalescence of two separately nucleated microtwinned martensite plates and the need to accommodate remaining stresses. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.

Abstract: The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.

Abstract: A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Abstract: Hexagonal boron nitride (hBN) nanowalls were deposited by unbalanced radio frequency sputtering on (100)-oriented silicon, nanocrystalline diamond films, and amorphous silicon nitride (Si3N4) membranes. The hBN nanowall structures were found to grow vertically with respect to the surface of all of the substrates. To provide further insight into the nucleation phase and possible lattice distortion of the deposited films, the structural properties of the different interfaces were characterized by transmission electron microscopy. For Si and Si3N4 substrates, turbostratic and amorphous BN phases form a clear transition zone between the substrate and the actual hBN phase of the bulk nanowalls. However, surprisingly, the presence of these phases was suppressed at the interface with a nanocrystalline diamond film, leading to a direct coupling of hBN with the diamond surface, independent of the vertical orientation of the diamond grain. To explain these observations, a growth mechanism is proposed in which the hydrogen terminated surface of the nanocrystalline diamond film leads to a rapid formation of the hBN phase during the initial stages of growth, contrary to the case of Si and Si3N4 substrates. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.