Thin hole transport layers are important elements in organic semiconductor-based devices. Metal oxides are an encouraging material class for this purpose, as they may provide sufficient hole conduction in combination with excellent electron blocking properties. Both, long-term device stability, which may often be limited by the thermal stability of interfaces, and higher temperature processing steps, benefit strongly from the existence of thermally stable metal oxide interlayers. Provided that thermally stable electrodes can be fashioned, the stability of organic active layers—for example, in organic field effect transistors, light emitting diodes, or photovoltaic (OPV) devices can be investigated. Here, we apply this concept and report about the study of hole mobility (µh) in single-carrier-hole-only devices in dependence of thermal annealing up to the above the actual melting temperature of regio-regular poly(3-hexylthiophene-2,5-diyl) (P3HT).

Porous TiAl3 intermetallics were synthesized by the thermal explosion (TE) reaction from TiH2–75 at.% Al elemental powders combining with carbamide as the space holder. The results showed that the space holder particles were removed completely by dissolving in water before sintering and the violent exothermic reaction occurred from the temperature of 672–1193 °C within a few seconds. After TE, TiAl3 was the dominant phase in sintered products and the open porosity of 60.8% was obtained without space holder, while the porosity considerably increased to 81.4% with the addition of 60 vol% carbamide particles. The pore-forming mechanism can be concluded as follows: the sphere large pores replicated from carbamide particles and the small pores generated by the TE reaction. Moreover, porous TiAl3 intermetallics possess the excellent oxidation resistance at 650 °C in air, which enabled them good candidate materials for improving the service life and the accuracy of filtration under special conditions.

The microstructure evolution of the directionally solidified NiAl–Cr(Mo) planar eutectic lamellar structure was studied at 1150 °C and times of up to 400 h. The planar eutectic lamellar structure is obtained at the withdrawal rate range of 2.5–7.5 μm/s. The interlamellar spacing decreases gradually with increasing the withdrawal rate. The lamellar termination (like angular or smooth) commonly exists in the as-DS alloy. After high temperature treatment, the lamellar structure at 2.5 μm/s (interlamellar spacing, 3.7 μm) is almost stable, only a little migration of termination occurs at 400 h. When the withdrawal rate increases to 4.5 μm/s, the coarsening and migration of termination occur at 200 h. The adjacently coarsened terminations assemble when the coarsening processes to a certain degree, thus resulting in the formation of the blocky Cr(Mo) phase. Similarly, the above instable phenomenon occurs at 7.5 μm/s. The relevant instability mechanisms are discussed.

Integration of the III–V material systems on Si is an enabling technology for achieving high efficiency heterojunction Si-based photovoltaic devices. Gallium phosphide (GaP) offers numerous potential electrical, optical, and material advantages over amorphous silicon (a-Si) for the realization of several heterojunction solar cell designs. In this paper, details are given for the growth, fabrication, and characterization of different n-GaP/n-Si heterojunction solar cells to explore the effect of GaP as a carrier-selective contact. The cell performance is promising with high Si bulk lifetime (∼2.2 ms at the injection level of 1015 cm−3) and an open-circuit voltage of 618 mV and an efficiency of 13.1% in this new solar cell design. In addition to GaP as an electron-selective contact, MoOx was successfully implemented as a hole-selective contact in the n-GaP/n-Si heterojunction solar cell, increasing efficiency to 14.1% by improving the short wavelength response. The Si bulk lifetime is maintained during growth of GaP on Si by two different approaches and their effects on GaP/Si solar cell performance are also presented.

Ti6Al4V alloy samples with large pores suitable for bone implants are fabricated by pressing and sintering. Ti6Al4V powder is mixed with different volume fractions of salt particles. The sintering behavior up to 1260 °C is studied by dilatometry and pore features are observed by scanning electron microscopy and X-ray microtomography. Sintered materials with a relative density between 0.26 and 0.97 are obtained. 3D image analysis proves that large pores form a connected network when the amount of salt is 20% and above. The Young’s modulus and the yield stress of sintered materials deduced from compression tests span over wide ranges of values, which are consistent with real bone data. A simple analytical model is proposed to estimate the relative density as a function of the fraction of salt. This model combined with classical Gibson and Ashby’s power equations for mechanical properties can predict the fraction of salt required to obtain prescribed properties.

Chemical vapor deposition (CVD) of graphene has attracted high interest in the electronics industry due to its potential scalability for large-scale production. However, producing a homogeneous thin-film graphene with minimal defects remains a challenge. Studies of processing parameters, such as gas precursors, flow rates, pressures, temperatures, and substrate types, focus on improving the chemical aspect of the deposition. Despite the many reports on such parameters, studies on fluid dynamic aspects also need to be considered since they are crucial factors in scaling up the system for homogenous deposition. Once the deposition kinetics is thoroughly understood, the next vital step is fluid dynamics optimization to design a large-scale system that could deliver the gas uniformly and ensure maximum deposition rate with the desired property. In this review, the influence of fluid dynamics in graphene CVD process was highlighted. The basics and importance of CVD fluid dynamics was introduced. It is understood that the fluid dynamics of gases can be controlled in two ways: via reactor modification and gas composition. This paper begins first with discussions on horizontal tubular reactor modifications. This is followed by mechanical properties of the reactant gasses especially in terms of dimensionless Reynolds number which provides information on gas flow regime for graphene CVD process at atmospheric pressure. Data from the previous literature provide the Reynolds number for various gas compositions and its relation to graphene quality. It has been revealed that hydrogen has a major influence on the fluid dynamic conditions within the CVD, hence affecting the quality of the graphene produced. Focusing on atmospheric pressure CVD, suggestions for up-scaling into larger CVD reactors while maintaining similar fluid properties were also provided.

Novel cerium-loaded MnTiOx/attapulgite (Ce/MnTiOx/ATP) and cerium-doped MnTiOx/attapulgite (Ce–MnTiOx/ATP) catalysts for low-temperature selective catalytic reduction of nitrogen oxides (NOx) with ammonia (NH3-SCR) were synthesized by co-precipitation methods. The results of catalytic activity testing for the as-prepared Ce–MnTiOx/ATP and Ce/MnTiOx/ATP indicated that the Ce–MnTiOx/ATP catalyst exhibited better catalytic performance with over 80% NOx conversion within a wide temperature window between 170 and 350°, and the highest NOx conversion attained for the Ce–MnTiOx/ATP catalyst was 97.5%. A series of characterization illustrated that the Ce–MnTiOx/ATP catalyst exhibited a higher specific surface area, oxygen vacancy, redox ability, and acid site as compared to that of the Ce/MnTiOx/ATP catalyst. The performance tests showed that the Ce–MnTiOx/ATP catalyst exhibited not only better SO2 & H2O resistance but also higher N2 selectivity and good stability. Therefore, the Ce–MnTiOx/ATP catalyst was testified to be a promising catalyst for NH3-SCR.

We studied the effect of annealing on magnetic properties and structure of Heusler-type NiMnGa glass-covered microwires with a metallic nucleus diameter of about 22 μm prepared using the Taylor–Ulitovsky method. The as-prepared NiMnGa glass-covered microwires do not present ferromagnetic order at room temperature. Magnetization curves of the as-prepared samples do not present either saturation or coercivity at temperatures above 5 K. After annealing of the microwires, a ferromagnetic ordering is obtained with a Curie temperature of about 300 K which is beneficial for magnetic solid state refrigeration. The hysteresis observed on temperature dependence of magnetization in annealed samples and magnetic softening at about 260 K has been interpreted as the first-order phase transformation. Observed changes have been discussed considering internal stress relaxation after annealing, nanocrystalline structure of the as-prepared and annealed samples, recrystallization process and magnetic ordering of phases identified in the as-prepared sample and appearing under recrystallization. Existence of insulating and flexible glass-coating is beneficial for improvement of mechanical properties but the glass coating considerably affects magnetic properties of NiMnGa microwires. Therefore special attention must be paid to annealing conditions for realization of martensitic transformation.

In this present study, different volume percentages of titanium dioxide nanoparticles were added as dispersions in commercially pure magnesium using the blend-press-sinter powder metallurgy process followed by hot extrusion. The physically blended titanium dioxide nanoparticles dispersoid induced a significant grain refinement in the extruded magnesium matrix. Characterization of the mechanical properties revealed that the increasing volume percentage of titanium oxide nanoparticles dispersion was effective in enhancing the ductility of magnesium without disturbing the strength under tensile loading and enhancing the strength of magnesium without disturbing the ductility under compressive loading. The dominating deformation mechanism in pure magnesium was the dislocation slip, which was subdued by the tensile twinning deformation mechanism due to the increasing presence of titanium dioxide dispersion. The effect of shift in the dominating deformation mechanism was displayed by the elimination of tensile-compressive asymmetry in magnesium when dispersed with 1 vol% of titanium dioxide nanoparticles.

Nanoindentation experiments performed in high-purity vapor deposited lithium films at 31 °C reveal a strain rate and length scale dependence in the stress at which pop-in type events signal an abrupt transition from diffusion to dislocation-mediated flow. The stress level at which the transition to dislocation-mediated flow occurs varies with the strain rate and ranges from 88 to 208 times larger than the nominal yield strength of bulk, polycrystalline lithium. Variation in the indentation strain rate reveals the relationship between the stress required to initiate the transition and the length scale at which the transition occurs follows the power-law relation, hardness × depth1.17 = 1.545 N/m0.83, where the magnitude of the exponent and constant reflect the defect structure of the film. A rationalization of the transition is provided through direct comparisons between the measured cumulative distribution function (CDF) and the CDF hypothesized for the activation of a Frank–Read source.

Natural gas consumption has grown from 5.0 trillion cubic feet (TCF) in 1949 to 27.0 TCF in 2014 and is expected to be ∼31.6 TCF in 2040. This large demand requires an effective technology to purify natural gas. Nitrogen is a significant impurity in natural gas and has to be removed since it decreases the natural gas energy content. The benchmark technology to remove nitrogen from natural gas is cryogenic distillation, which is costly and energy intensive. Membrane technology could play a key role in making this separation less energy intensive and therefore economically feasible. Molecular sieve membranes are ideal candidates to remove natural gas impurities because of their exceptional size-exclusion properties, high thermal and chemical resistance. In this review, the state of the art of molecular sieve membranes for N2/CH4 separation, separation mechanisms involved, and future directions of these emerging membranes for natural gas purification are critically discussed.

For fabricating photovoltaic BaSi2 films with controlled carrier density and suppressed oxidation by thermal evaporation, the mechanism determining the film composition from incongruently evaporated BaSi2 must be elucidated. We investigated the effects of source premelting, substrate temperature, and thickness on the structural and electrical properties of evaporated BaSi2 films. It is found by room-temperature deposition that the vapor composition continuously changes from being Ba-rich to being Si-rich. Source premelting suppresses the deposition of Ba-rich vapor. Deposition at 600–700 °C shows that BaSi2 forms through the mutual diffusion of Ba and Si, followed by surface oxidation by residual gas. Surface oxidation can be suppressed by a-axis-oriented growth. By changing the film thickness, the optimum thickness to obtain homogeneous films with suppressed oxidation is revealed. Sufficient diffusion leads to high film resistivities and low electron densities, which demonstrates a close relationship between the film composition and the electrical properties.

New closed-form analytical equations for volume fractions and surface-area-to-volume ratios for architected lattice cellular materials are derived. Prior approximate equations which erroneously over count overlapping volumes and the associated surface area are commonly used in the literature. These equations are found to have up to 184% error for volume fraction calculations for hollow lattices and 211% error for surface-area-to-volume ratio calculations, thus necessitating computational methods to arrive at accurate geometric properties for cellular lattice materials. This work derives new equations which are accurate to better than 1% for both volume fraction and surface-area-to-volume ratio as compared to the computational models. These new equations for cellular lattice materials are applicable to both pyramidal and tetrahedral unit cells as well as to both hollow and solid lattice members. By eliminating the need for numerical models to compute accurate volume fractions and surface-area-to-volume ratios of architected cellular materials, these new analytical equations will enable accurate yet computationally efficient optimization of the physical properties of architected cellular materials.

Thin films of insulating Ti1−xNixO2 (x = 0.00, 0.05, 0.10, and 0.15) are synthesized by the spray pyrolysis technique. All the films are seen to crystallize into polycrystalline anatase phase of TiO2. However, weak signature of the NiTiO3 phase is also observed for the films having higher Ni ion concentration. Optical absorption analysis suggests nonmonotonous band gap decrease from 3.67 to 3.59 eV with respect to added concentration of Ni ions unto ‘x’ = 0.10 in the TiO2 matrix. The presence of ferromagnetic ordering at room temperature in Ni incorporated TiO2 films is revealed by M–H measurements. Calculated values of saturation magnetization indicate that the observed ferromagnetism is not due to the presence of Ni clusters or segregation of other ferromagnetic phase. Electrically insulating nature of the films suggests that the observed FM ordering is most probably due to the ferromagnetic interaction between bound magnetic polarons which formed due to the creation of oxygen vacancies or defects.

Nacre-mimetic (PE/TiO2)4 nanolayered composites (NLCs) with the nanocrystalline TiO2 layer thickness less than 30 nm and different thickness ratios of inorganic/organic layers were successfully prepared by using layer-by-layer self-assembly and chemical bath deposition method. Mechanical properties, especially fatigue properties of the NLCs with different thickness ratios were evaluated. The elastic modulus, hardness and fracture toughness, strain amplitude to fatigue limits of the NLCs reached 27.78 ± 5.69 GPa, 1.33 ± 0.31 GPa, and 4.16 ± 0.20 MPa m1/2, respectively. Fatigue performance of the NLCs in the high and low cycle fatigue regimes was optimized by tailoring the thickness ratio of the TiO2/PE layers. The PE/TiO2 NLCs with the larger thickness ratio of ∼3 has the high fatigue limit (the critical strain amplitude of 0.0853%) in the high-cycle fatigue regime, while that with the smaller thickness ratio of ∼1 and ∼0.5 are of the good fatigue strength in the low-cycle fatigue regime. The basic mechanism for the enhanced fatigue performance is elucidated.

Low coefficient of thermal expansion (CTE) lattices occupy a unique area of property space. With such a system, it is possible to achieve relatively high stiffness, with opportunities to combine low thermal expansion and with a range of advantageous properties. Possibilities include combinations that are not rivaled by any bulk material, e.g., low CTE and high melting temperature, and low CTE with low conductivity. One design in particular, the UCSB Lattice, has biaxial stiffness very near theoretical upper bounds when the joints are pinned. Bonded lattices are found to inherit the near optimal performance of the parent pin-jointed design. Despite near optimal performance, however, stiffnesses and strengths are limited to a few percent of the relative property of the constituents. The local deformations necessary to accommodate low net CTE are similar to those of auxetic lattices, with similar behavior, having a low, zero, or negative tunable Poisson’s ratio. An investigative framework, including experiments, finite element, and analytical formulas, is used to construct these assessments.

The three-dimensional microstructures of two conventional 316L stainless steels and a grain boundary (GB)-engineered version of the same steel have been characterized by using serial sectioning and electron backscatter diffraction mapping. The morphologies, area fractions, and number fractions of twin boundaries (TBs) were measured and compared, and the random boundary connectivity was evaluated. Although two-dimensional observations suggest that TBs are planar, occluded twin-grains and tunnel-shaped TBs were also observed. In addition, some large and morphologically complex TBs were observed in the GB-engineered sample, and these TBs were responsible for the increase in the twin area fraction that has been reported in past studies. While GB engineering increased the boundary area fraction, the TB number fraction was almost unchanged. Because the GB engineering process changed only the area fraction and not the number fraction, the connectivity of random boundaries was not disrupted.

Three-dimensional (3D) printing technology is a promising method for bone tissue engineering applications. For enhanced bone regeneration, it is important to have printable ink materials with appealing properties such as construct interconnectivity, mechanical strength, controlled degradation rates, and the presence of bioactive materials. In this respect, we develop a composite ink composed of polycaprolactone (PCL), poly(D,L-lactide-co-glycolide) (PLGA), and hydroxyapatite particles (HAps) and 3D print it into porous constructs. In vitro study revealed that composite constructs had higher mechanical properties, surface roughness, quicker degradation profile, and cellular behaviors compared to PCL counterparts. Furthermore, in vivo results showed that 3D-printed composite constructs had a positive influence on bone regeneration due to the presence of newly formed mineralized bone tissue and blood vessel formation. Therefore, 3D printable ink made of PCL/PLGA/HAp can be a highly useful material for 3D printing of bone tissue constructs.

This work presents a critical review of the application of CALPHAD techniques in the development of high entropy alloys (HEAs) and complex concentrated alloys (CCAs). This assessment covers three major themes: thermodynamics of mixtures and stability, retrospective thermodynamics, and predictive thermodynamics. Based on statistical and thermodynamic analysis, we assess the concept of entropic stabilization. A brief description of the major accomplishments of the CALPHAD technique applied to explain the stability and microstructure of HEAs and CCAs is presented. We describe the role of CALPHAD and its integration with other design tools, such as physicochemical criteria, data mining, and optimization techniques, to accelerate the discovery of new materials. Finally, we recommend future efforts in the development of the next generation of HEAs and CCAs in connection with the design of their microstructures, with an emphasis on precipitation strengthening and twinning-induced or transformation-induced plasticity (TWIP, TRIP).

Fullerene derivatives have been ubiquitous as an electron-accepting material in organic photovoltaic solar cells (OSCs). We consider whether and why traces of PCBM oxidation products should be seen as electronic defects impairing the performance of OSCs. Thin PCBM deposits were first illuminated under ambient air for a few minutes, thus revealing the extraordinary easiness of oxidizing PCBM. The charge transfer in polymer:PCBMox bulk heterojunctions was then studied. As a result of a few minutes of PCBM photooxidation, the electron transfer from the polymer to two types of PCBMox species was shown to occur at the expense of the transfer to pristine PCBM. Such modifications to the molecular structure of PCBM and to the charge transfer at the nanoscale were finally correlated with a dramatic loss in the device’s photovoltaic performance at the macroscale. This study clearly indicates the need to integrate photooxidation-resistant electron-accepting materials into OSCs to extend their lifetime.