Materials — Open Access Journal

Organic photovoltaic (OPV) devices, made with semiconducting polymers, have recently attained a power conversion efficiency (PCE) over 14% in single junction cells and over 17% in tandem cells. These high performances, together with the suitability of the technology to inexpensive large-scale manufacture, over lightweight and flexible plastic substrates using roll-to-roll (R2R) processing, place the technology amongst the most promising for future harvesting of solar energy. Although OPVs using non-fullerene acceptors have recently outperformed their fullerene-based counterparts, the research in the development of new fullerenes and in the improvement of the bulk-heterojunction (BHJ) morphology and device efficiency of polymer:fullerene solar cells remains very active. In this review article, the most relevant research works performed over the last 3 years, that is, since the year 2016 onwards, in the field of fullerene-based polymer solar cells based on the copolymers PTB7, PTB7-Th (also known as PBDTTT-EFT) and PffBT4T-2OD, are presented and discussed. This review is primarily focused on studies that involve the improvement of the BHJ morphology, efficiency and stability of small active area devices (typically < 15 mm²), through the use of different processing strategies such as the use of different fullerene acceptors, different processing solvents and additives and different thermal treatments. Full article

Localized impurities doped in the semiconductor substrate of nanostructure devices play an
essential role in understanding and resolving transport and variability issues in device characteristics.
Modeling discrete impurities under the framework of device simulations is, therefore, an urgent need
for reliable prediction of device performance via device simulations. In the present paper, we discuss
the details of the physics associated with localized impurities in nanostructure devices, which are
inherent, yet nontrivial, to any device simulation schemes: The physical interpretation and the role
of electrostatic Coulomb potential in device simulations are clarified. We then show that a naive
introduction of localized impurities into the Poisson equation leads to a logical inconsistency within
the framework of the drift-diffusion simulations. We describe a systematic methodology for how to
treat the Coulomb potential consistently with both the Poisson and current-continuity (transport)
equations. The methodology is extended to the case of nanostructure devices so that the effects of the
interface between different materials are taken into account. Full article

Activated carbons (ACs) based on apricot shells (AS), wood (W), and walnut shells (WS) were applied to adsorb atrazine in co-solutions. To study the effect of Bisphenol A (BPA) on the adsorption behavior of atrazine, the adsorption performance of ACs for BPA in single solution was studied. The results demonstrated that the adsorption kinetics of BPA fitted the pseudo-second-order model, the adsorption isotherms of BPA followed the Langmuir model. Meanwhile, the adsorption kinetics of atrazine fitted the pseudo-second-order kinetics model and the isotherm was consistent with the Freundlich model both in single solution and co-solution. In addition, competitive adsorption was observed when atrazine coexisted with BPA or humic acid. For the adsorption capacity, the adsorption amount of ASAC, WAC, and WSAC for atrazine obviously decreased by 18.0%, 30.0%, and 30.3% in the presence of BPA, respectively, which was due to the π−π interactions, hydrophobic interactions, and H-bonds, resulting in the competitive adsorption between atrazine and BPA. This study contributes to the further understanding of the adsorption behavior for atrazine in co-solution. Full article

Porous silicon has been utilized within a wide spectrum of industries, as well as being used in basic research for engineering and biomedical fields. Recently, surface modification methods have been constantly coming under the spotlight, mostly in regard to maximizing its purpose of use. Within this review, we will introduce porous silicon, the experimentation preparatory methods, the properties of the surface of porous silicon, and both more conventional as well as newly developed surface modification methods that have assisted in attempting to overcome the many drawbacks we see in the existing methods. The main aim of this review is to highlight and give useful insight into improving the properties of porous silicon, and create a focused description of the surface modification methods. Full article

Carbon structures comprising sp${}^1$ chains (e.g., polyynes or cumulenes) can be synthesized by exploiting on-surface chemistry and molecular self-assembly of organic precursors, opening to the use of the full experimental and theoretical surface-science toolbox for their characterization. In particular, polarized near-edge X-ray absorption fine structure (NEXAFS) can be used to determine molecular adsorption angles and is here also suggested as a probe to discriminate sp${}^1$/sp${}^2$ character in the structures. We present an ab initio study of the polarized NEXAFS spectrum of model and real sp${}^1$/sp${}^2$ materials. Calculations are performed within density functional theory with plane waves and pseudopotentials, and spectra are computed by core-excited C potentials. We evaluate the dichroism in the spectrum for ideal carbynes and highlight the main differences relative to typical sp${}^2$ systems. We then consider a mixed polymer alternating sp${}^1$ C${}_4$ units with sp${}^2$ biphenyl groups, recently synthesized on Au(111), as well as other linear structures and two-dimensional networks, pointing out a spectral line shape specifically due to the the presence of linear C chains. Our study suggests that the measurements of polarized NEXAFS spectra could be used to distinctly fingerprint the presence of sp${}^1$ hybridization in surface-grown C structures. Full article

A new generation of compressor-free heat pumps based on adsorption technology and driven by solar energy is available. Performance and costs are, however, the main obstacles to their commercial diffusion, and more material and system developments are required. In this work, a new coating made of microfibres produced by the electrospinning of polymer/zeolite mixtures is presented. Three different polymer carriers, polyvinyl acetate, polyethylene oxide and polystyrene, have been used together with zeolite SAPO-34 as an adsorbing material. Electrospun microfibres showed a mean diameter ranging from 0.75 μm to 2.16 μm depending on the polymer carrier, with a zeolite content from 60 wt.% to 87 wt.%. Thermal analysis (TGA-DSC) results showed that water desorption from microfibres at T = 150 °C was close to 17 wt.%, a value in agreement with the adsorption capacity of pure SAPO-34. The morphology characterization of coatings demonstrated that the microfibre layers are highly porous and have an elevated surface area. Full article

Introducing fire-retardant additives or building blocks into resins is a widely adopted method used for improving the fire retardancy of epoxy composites. However, the increase in viscosity and the presence of insoluble additives accompanied by resin modification remain challenges for resin transfer molding (RTM) processing. We developed a robust approach for fabricating self-extinguishing RTM composites using unmodified and flammable resins. To avoid the effects on resin fluidity and processing, we loaded the flame retardant into tackifiers instead of resins. We found that the halogen-free flame retardant, a microencapsulated red phosphorus (MRP) additive, was enriched on fabric surfaces, which endowed the composites with excellent fire retardancy. The composites showed a 79.2% increase in the limiting oxygen index, a 29.2% reduction in heat release during combustion, and could self-extinguish within two seconds after ignition. Almost no effect on the mechanical properties was observed. This approach is simple, inexpensive, and basically applicable to all resins for fabricating RTM composites. This approach adapts insoluble flame retardants to RTM processing. We envision that this approach could be extended to load other functions (radar absorbing, conductivity, etc.) into RTM composites, broadening the application of RTM processing in the field of advanced functional materials. Full article

Photoactivity represents the ability of a material to activate when interacting with light. It can be declined in many ways, and several functionalities arising from this behavior of materials can be exploited, all leading to positive repercussions on our environment. There are several classes of effects of photoactivity, all of which have been deeply investigated in the last few decades, allowing researchers to develop more and more efficient materials and devices. The special issue “Novel Photoactive Materials” has been proposed as a means to present recent developments in the field; for this reason the articles included touch different aspects of photoactivity, from photocatalysis to photovoltaics to light emitting materials, as highlighted in this editorial. Full article

Continuous glass fiber-reinforced polypropylene composites produced by using hybrid yarns show reduced fiber-to-matrix adhesion in comparison to their thermosetting counterparts. Their consolidation involves no curing, and the chemical reactions are limited to the glass fiber surface, the silane coupling agent, and the maleic anhydride-grafted polypropylene. This paper investigates the impact of electron beam crosslinkable toughened polypropylene, alkylene-functionalized single glass fibers, and electron-induced grafting and crosslinking on the local interfacial shear strength and critical energy release rate in single glass fiber polypropylene model microcomposites. A systematic comparison of non-, amino-, alkyl-, and alkylene-functionalized single fibers in virgin, crosslinkable toughened and electron beam crosslinked toughened polypropylene was done in order to study their influence on the local interfacial strength parameters. In comparison to amino-functionalized single glass fibers in polypropylene/maleic anhydride-grafted polypropylene, an enhanced local interfacial shear strength (+20%) and critical energy release rate (+80%) were observed for alkylene-functionalized single glass fibers in electron beam crosslinked toughened polypropylene. Full article

In the present study two sets of nanocomposites consisting of an epoxy resin and BaFe₁₂O₁₉ or SrFe₁₂O₁₉ nanoparticles were successfully developed and characterized morphologically and structurally via scanning electron microscopy and X-ray diffraction spectra. The dielectric response of the nanocomposites was investigated by means of broadband dielectric spectroscopy and their magnetic properties were derived from magnetization tests. Experimental data imply that the incorporation of the ceramic nanoparticles enhances significantly the dielectric properties of the examined systems and their ability to store electrical energy. Dielectric spectra of all systems revealed the presence of three distinct relaxation mechanisms, which are attributed both to the polymer matrix and the nanoinclusions: Interfacial polarization, glass to rubber transition of the polymer matrix and the re-orientation of small polar side groups of the polymer chain. The magnetic measurements confirmed the ferromagnetic nature of the nanocomposites. The induced magnetic properties increase with the inclusion of hexaferrite nanoparticles. The nanocomposites with SrFe₁₂O₁₉ nanoparticles exhibit higher values of coercive field, magnetization, magnetic saturation and remanence magnetization. A magnetic transition was detected in the ZFC/FC curves in the case of the BaFe₁₂O₁₉/epoxy nanocomposites. Full article

Computer simulations using Monte Carlo method in the isobaric-isothermal ensemble were used to investigate the impact of nanoinclusions in the form of very narrow channels in the $\left[111\right]$-direction on elastic properties of crystals, whose particles interact via Yukawa potential. The studies were performed for several selected values of Debye screening length (${\left(\kappa \sigma \right)}^{-1}$). It has been observed that introduction of the nanoinclusions into the system reduces the negative value of Poisson’s ratio towards $\left[110\right]\left[1\overline{1}0\right]$, maintaining practically constant values of Poisson’s ratio in the directions $\left[100\right]$ and $\left[111\right]$. These studies also show that concentration of particles forming the nanoinclusions in the system has a significant effect on the value of Poisson’s ratio in the $\left[110\right]\left[1\overline{1}0\right]$-direction. A strong (more than fourfold) decrease of Poisson’s ratio in this direction was observed, from $-0.147\left(3\right)$ (system without inclusions) to $-0.614\left(14\right)$ (system with nanoinclusions) at $\kappa \sigma =10$ when the inclusion particles constituted about 10 percent of all particles. The research also showed an increase in the degree of auxeticity in the system with increasing concentration of nanoinclusion particles for all the screening lengths considered. Full article

This research was aimed at investigating the high temperature oxidation behavior of Inconel 718 superalloy fabricated by electron beam melting with the building direction of 0°, 55° and 90° deviation from the Z axis of cylindrical samples. Columnar γ-fcc phase with preferred crystal orientations was found in all specimens. With the temperature ranging from 700 to 1000 °C, the 0° sample, symbolized by the lowest grain boundary density, and largest grain size, reveals the best oxidation performance. It is concluded that the building direction has more impact on the amount of grain boundary density than crystal orientation, which determined the oxidation resistance. Full article

We have investigated the glass formation ability of Cu-Zr alloy by molecular dynamics simulation of the deposition process. The atomistic structures of Zr_xCu_100−x metallic glass films have been systematically examined under the growth conditions of hypereutectic-eutectic, near-eutectic, and hypoeutectic regions by the radial distribution function and simulated X-ray diffraction. The structure analysis using Voronoi polyhedron index method demonstrates the variations of short-range order and five-fold local symmetry in Zr_xCu_100−x metallic glass films with respect to the growth conditions. We manifest that the five-fold local symmetry is sensitive to the kinetic energy of the depositing atoms. There is positive correlation between the degree of five-fold local symmetry and glass forming ability. Our results suggest that sputtering conditions greatly affect the local atomic structures and consequential properties. The glass forming ability could be scaled by the degree of five-fold local symmetry. Our study might be useful in optimizing sputtering conditions in real experiments, as well as promising implications in material design of advanced glassy materials. Full article

A nanosecond green laser was employed to obtain both superhydrophobic and superhydrophilic surfaces on a white commercial acrylonitrile-butadiene-styrene copolymer (ABS). These wetting behaviors were directly related to a laser-induced superficial modification. A predefined pattern was not produced by the laser, rather, the entire surface was covered with laser pulses at 1200 DPI by placing the sample at different positions along the focal axis. The changes were related to the laser fluence used in each case. The highest fluence, on the focal position, induced a drastic heating of the material surface, and this enabled the melted material to flow, thus leading to an almost flat superhydrophilic surface. By contrast, the use of a lower fluence by placing the sample 0.8 µm out of the focal position led to a poor material flow and a fast cooling that froze in a rugged superhydrophobic surface. Contact angles higher than 150° and roll angles of less than 10° were obtained. These wetting behaviors were stable over time. Full article

Cast parts usually inherit internal defects such as micro shrinkage pores due to the manufacturing process. In order to assess the fatigue behaviour in both finite-life and long-life fatigue regions, this paper scientifically contributes towards a defect-based fatigue design model. Extensive fatigue and fracture mechanical tests were conducted whereby the crack initiating defect size population was fractographically evaluated. Complementary in situ X-ray computed tomography scans before and during fatigue testing enabled an experimental estimation of the lifetime until crack initiation, acting as a significant input for the fatigue model. A commonly applied fatigue assessment approach introduced by Tiryakioglu was modified by incorporating the long crack threshold value, which additionally enabled the assessment of the fatigue strength in the long-life fatigue regime. The presented design concept was validated utilising the fatigue test results, which revealed a sound agreement between the experiments and the model. Only a minor deviation of up to about five percent in case of long-life fatigue strength and up to about 9% in case of finite-lifetime were determined. Thus, the provided extension of Tiryakioglu’s approach supports a unified fatigue strength assessment of cast aluminium alloys in both the finite- and long-life regimes. Full article

A new technique for the production of glass foams, based on alkali activation and gel casting, previously applied to soda-lime glass, was successfully extended to boro-alumino-silicate glass, recovered from the recycling of pharmaceutical vials. A weak alkali activation (2.5 M NaOH or NaOH/KOH aqueous solutions) of fine glass powders (below 70 µm) allowed for the obtainment of well-dispersed concentrated aqueous suspensions, undergoing gelation by treatment at low temperature (75 °C). Unlike soda-lime glass, the progressive hardening could not be attributed to the formation of calcium-rich silicate hydrates. The gelation was provided considering the chemical formulation of pharmaceutical glass (CaO-free) to the formation of hydrated sodium alumino-silicate (N-A-S-H) gel. An extensive direct foaming was achieved by vigorous mechanical stirring of partially gelified suspensions, comprising also a surfactant. A sintering treatment at 700 °C, was finally applied to stabilize the cellular structures. Full article

The paper presents an original method for estimating the shrink sleeve label compressive force on packaging. One of the most popular methods of measuring deformations was used, i.e., the electrical resistance strain gauge measurement. It was assumed that the packaging was a thin-walled axially symmetrical vessel. The packing walls on one side are loaded with internal pressure generated by heating the liquid contained inside the packaging. On the other side, the film shrinking on the packaging generates additional deformation. By measuring the changes in circumferential deformations in the shrinking process at various packaging heights, it is possible to infer the uniformity of the film compressive force. Results of research on changes of these deformations over time with different intensity values of the shrinkage medium were presented. Full article

In this paper, a condition assessment of masonry pillars is presented. Non-destructive tests were performed on an intact pillar as well as three pillars with internal inclusions in the form of a hole, a steel bar grouted by gypsum mortar, and a steel bar grouted by cement mortar. The inspection utilized ultrasonic stress waves and the reconstruction of the velocity distribution was performed by means of computed tomography. The results showed the possibilities of tomographic imaging in characterizing the internal structure of pillars. Particular attention was paid to the assessment of the adhesive connection between a steel reinforcing bar, embedded inside pillars, and the surrounding pillar body. Full article

This paper focuses on investigating the residual stress values associated with a part fabricated by Selective Laser Melting technology (SLM) when this is subjected further to forces on single point incremental forming (SPIF) operation of variable wall angle. The residual stresses induced by the SLM manufacturing process on the fabricated AlSi10Mg metallic sheets, as well as those produced during their forming SPIF operation were determined by X-ray diffraction (XRD) measurements. Significant residual stress levels of variation, positive or negative, along the metallic sample were observed because of the bending effects induced by the SPIF processes. It is also shown how the wall thickness varies along the additive manufactured SPIFed part as well as the morphology of the melting pools as a function of the deformation depth. Full article