Dual-stage, constant loading-rate followed by constant-load, pyramidal indentation experiments were performed to investigate the strain-rate (10−5–10−1/s) and temperature (295–573 K) dependence of pure magnesium. The estimated total activation energy, Q (0.69–1.01 eV), and apparent activation volume, V* (17–28b3), indicate that plastic deformation is controlled by a dislocation cross-slip mechanism. The results from this work and previous studies confirm that, during pyramidal indentation of Mg, the operative deformation mechanism remains the same over a very wide strain-rate and temperature range.

First principles density functional theory calculations were conducted to investigate the structures and energetics of polyhedral oligomeric silsesquioxane (POSS) molecules with varying aluminum and alkali (sodium or potassium) concentrations. Notable trends emerge from this study namely, (1) the thermodynamic stability of the substituted POSS molecules is critically dependent on the interplay between size and composition of the POSS structures, and (2) larger POSS structures provide lower central electron density and hence better accommodate the central alkali atom. These observations, when viewed in the context of aluminosilicate based geopolymers, provide fundamental insights into the relations that describe the structure composition interplay of their underlying monomers.

The role of substrate orientation on interface registry and nanocrystal shape has been investigated for epitaxial manganese oxide (Mn3O4) nanocrystals. Mn3O4 (101) nanoplatelets and (112)-orientated nanowires have been successfully deposited on (111) and (110) SrTiO3 (STO) substrates, respectively. Under higher magnifications, the (101) platelets were found to exhibit step-like growth, spiraling outward from a local dislocation site at the Mn3O4–STO interface. Selected area electron diffraction analysis from transmission electron microscope (TEM) was carried out to determine the in-plane edge directionalities of (101) and (112) Mn3O4. We found the (101) Mn3O4 orientation to exhibit a complex in-plane epitaxial relation of $[2\overline {31} ]$Mn3O4//[100]STO and an out-of-plane relation of $[\overline 1 01]$Mn3O4//$[\overline 1 11]$STO. Furthermore, lattice misorientations of 58° in-plane and 35° out-of-plane have been calculated, attributed to the shear caused by the spiral growth. For the (112) Mn3O4 nanowires, the TEM diffraction pattern indicates pyramidal cross-sections based along $[0\overline {11} ]$ STO. Subsequent calculations reveal that the (112) nanowires have their long axis (c-axis) such that [001]Mn3O4//[110]STO. Thus the nanowires grow preferentially along its longest axis giving rise to the observed shape and anisotropic nature.

Nanostructured carbon materials, especially activated carbon, carbon nanotubes, and graphene, have been widely studied for supercapacitor applications. To maximize the efficacy of these materials for electrochemical energy storage, a detailed understanding of the relationship between the nanostructure of these materials and their performance as supercapacitors is required. A fundamental structural parameter obtained from the Raman spectra of these materials, the in-plane correlation length or nanocrystalline domain size, is found to correlate with the electrochemical capacitance, regardless of other morphological features. This correlation for a common nanostructural characteristic is believed to be the first result of its kind to span several distinct nanostructured carbon morphologies, including graphene–carbon nanotubes hybrid materials, and may allow more effective nanoscale engineering of supercapacitor electrode materials.

The Mn-doped ZrO2/TiO2 nanostructured photocatalysts had been prepared by the simple hydrothermal method. The morphologies and structures of the as-prepared photo-catalyst were characterized by transmission electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, and electron paramagnetic resonance. The resultant nanostructured photocatalysts exhibited high photocatalytic activity under ultraviolet (UV) light irradiation, attributing to the improvement of the photo-absorption property and the separation efficiency of photo-generated electrons and holes. The hydroxyl radicals (•OH), superoxide radical (•O2−), and holes (h+) are the main active species in aqueous solution under UV light irradiation.

Epitaxial Ba2YNbO6 (BYNO) films were deposited on textured NiW substrates via pulsed laser deposition. The films have dense and smooth surface structure, and more importantly, significantly improved out-of-plane texture, compared with the NiW substrate texture. Transmission electron microscopy study confirms the c-axis tilting of BYNO film and formation of misfit dislocations at NiW/BYNO interface, suggesting that the improved texture should be attributed to the tilted epitaxy via biased dislocation mechanism. YBa2Cu3O7−δ films deposited on BYNO single-buffered NiW substrates show further texture improvement, high superconducting transition temperature of ~91 K, and critical current density of 1.8 MA/cm2 at 77 K, self-field.

Poly(acrylic acid) (PAA) and poly(vinylpyrrolidone) (PVP) are both highly safe synthetic polymers approved as pharmaceutical excipients. When their aqueous solutions are mixed, insoluble rigid complex is precipitated. On the other hand, if the dried PAA film was immersed in aqueous PVP solution, swollen PAA/PVP soft hydrogel was obtained. Heated drying of the gel afforded a transparent water-swellable film. The swellable PAA/PVP complex film exhibited favorable properties in medical use. If the film was put on a bleeding site, it swelled, and stuck to a hemorrhaging spot, and efficiently arrested bleeding. It could also prevent the adhesion formation by injured intestines.

The hybrid halide perovskites combine the low-cost processing characteristics of organic materials with the performance factors of inorganic compounds. Recently the power conversion efficiencies of perovskite photovoltaic solar cells have reached a respective value of ~20%. The charge transport properties were indirectly approximated in these compounds because of lack of available field-effect transistors (FETs). Here we report the fabrication and room-temperature operation of FETs based on the hybrid perovskites. We obtained balanced electron and hole transport with mobilities of ~1 cm2/Vs. We also found that the yield, as well as the operational and environmental stability of the fabricated transistors is limited.

We have used low-energy electron diffraction and microscopy to compare the growth of graphene on hydrogen-free Ge(111) and Ge(110) from an atomic carbon flux. Growth on Ge(110) leads to significantly better rotational alignment of graphene domains with the substrate. To explain the poor rotational alignment on Ge(111), we have investigated experimentally and theoretically how the adatom reconstructions of Ge interact with graphene. We find that the ordering transition of the Ge(111) adatom reconstruction is not significantly perturbed by graphene. Density functional theory calculations show that graphene on reconstructed Ge(110) has large-amplitude corrugations, whereas it is remarkably flat on reconstructed Ge(111). We argue that the absence of corrugations prevents graphene islands from locking into a preferred orientation.

We report on electronic properties of water-filled fullerenes [H2O(n)@C60, H2O(n)@C180, and H2O(n)@C240] under mechanical deformation using density functional theory. Under a point load, energy gap change of empty and water-filled fullerenes is investigated. For C60 and H2O(n)@C60, the energy gap decreases as the tensile strain increases. For H2O(n)@C60, under compression, the energy gap decreases monotonously while for C60, it first decreases and then increases. Similar behavior is observed for other empty (C180 and C240) and water-filled [H2O(n)@C180 and H2O(n)@C240] fullerenes. The energy gap decrease of water-filled fullerenes is due to the increased interaction between water and carbon wall under deformation.

A bimodal mixture of silver nanoparticles consisting of spheres and triangular nanoplates was synthesized from silver nitrate (AgNO3) and polyvinylpyrrolidone with the aid of a microwave reactor system, reducing total reaction time from days to minutes; a specific shape-directing reagent was not used. It is known that freshly prepared solutions of AgNO3 contain a high population of Ag3+, while aged solutions contain fewer trimers. We propose that the product ratios of spheroidal to triangular particles are proportional to the relative population of trimers in solution prior to initiation of the microwave reaction.

Catalyst development is needed to enable the use of renewable electricity to chemically convert carbon dioxide (CO2) and water into fuels and chemicals, a more sustainable, lower-carbon alternative to conventional processes that produce fuels and chemicals based on fossil resources. In this study, the catalytic activity and selectivity of polycrystalline platinum (Pt) is thoroughly characterized for the CO2 reduction reaction, based on an electrochemical cell design that offers high sensitivity for product detection. Thin polyaniline films are then electrodeposited onto polycrystalline Pt foils to form hybrid organic–inorganic surfaces. The addition of the polymer is observed to have an impact on the catalytic chemistry, yielding up to a fivefold enhancement in formate and CO production over pure Pt foils. This work elucidates new strategies to perturb interfacial chemistry in a manner that could help steer CO2 electro-reduction catalysis in desired directions.

Dielectric thin films of high- and low-refractive index are the essential components for optical coatings. To achieve high sputtering rates and superior film quality, the authors have developed novel conductive SiO2:Si and ZnO:Zn composites that become conductive once the doped silicon and metal Zn reach a critical ratio. The sputtering characteristics of the composite targets in direct current and radio-frequency (RF) plasma discharge are quite different from the corresponding element targets. The optical properties of the RF sputtered SiO2 and ZnO films from the composite targets is comparable with the films obtained from RF sputtering of pure oxide targets.

The formation of a metastable Cu–Ta solid solution in a mechanically alloyed Cu–10 at.%Ta alloy and its subsequent decomposition during annealing was investigated by atom probe tomography. During annealing, the as-milled Cu-rich alloy undergoes phase separation; Ta atoms diffuse out of the Cu lattice to form Ta clusters and particles along grain boundaries and within the Cu grains. The role of the Ta clusters and the nature of the solid solution as a potential strengthening mechanism for these alloys are discussed.

Additive manufacturing, also known as three-dimensional printing, has provided a promising solution to produce near-net shape components directly from metallic powder. However, their surface roughness still prevents them from immediate use; finish machining is usually required. This study has investigated the grain size variation and saw-tooth/shear-band spacing during the machining of titanium alloy (Ti–6Al–4V) printed using direct metal deposition. Grain refinement was observed within both the printed and substrate regions, and their grain structures retained the basket-weave Widmanstätten and bimodal structures, respectively. The saw-tooth spacing decreased as the build height increased.

We demonstrate that fluorescence properties of organic fluors embedded in a porous polystyrene matrix are highly sensitive to the average pore size and pore-size distribution of the matrix. The effect can be understood as two different types of confinement imposed to the fluor molecules by the matrix. First, there is geometrical confinement that restricts the fluor oscillations due to its physical contact with a pore wall. Second, there is an electronic confinement due to a local polarization of the wall material by molecular dipoles. The effects lead to a spectral shift and enhancement of the fluorescence intensity of the material.