Using general-purpose photovoltaic device model, we have simulated the operation and functionality of a working Sn perovskite/Cu2O hole transport layer (HTL)/Cu back-contact device versus a standard Pb perovskite/Spiro HTL/Ag back-contact device. The results are extremely promising in that they showcase comparable cell efficiencies, with the Sn perovskite/Cu2O HTL/Cu back-contact device showing a highest 22.9% efficiency [Jsc of 353.4 A/m2, Voc of 0.84 V, fill factor (FF) of 0.77] at 427 nm active layer thickness compared with 24.6% of the standard Pb perovskite/Spiro HTL/Ag back-contact device (Jsc of 356.8 A/m2, Voc of 0.82 V, FF of 0.84) at the same active layer thickness. Jsc, Voc, and FF kinetics reveal that the Sn perovskite/Cu2O HTL/Cu back-contact device can perform better by reducing the recombination centers both within each layer matrix and in the interfacial contacts.

A principal mode of corrosion in combustion or fuel cell environments is the formation of volatile hydroxides and oxyhydroxides from metal or oxide surfaces at high temperatures. It is important to determine the degree of volatility and accurate thermodynamic properties for these hydroxides. Significant gaseous metal hydroxides/oxyhydroxides are discussed, along with available experimental and theoretical methods of characterizing species and determining their thermodynamic properties.

Obtention of titanium (Ti)- and titanium dioxide (TiO2)–based nanocomposites is of great interest for biological nanomaterial applications, including for dental implants. Their mechanical properties can be improved by use of hydroxyapatite (HA) and chitosan through their biological anchorage with osseointegration and antibacterial activity. Electrochemical methods were chosen to obtain these composites in a quick and controllable way. In this work, electrochemical synthesis in one (alternated potential) or two steps (alternated or constant potential) was successfully applied. The single step (SS) obtained TiO2 + HA sample had different optical properties, as shown using ultraviolet–visible spectrometry, and the HA phase formation was proved using Raman spectroscopy. Thereby, SS_TiO2 + HA increased the corrosion resistance of titanium in artificial saliva medium, as shown by linear polarization and electrochemical impedance spectroscopy results. When using chitosan, the samples showed two corrosion interfaces, indicating its dissolution in human medium. These results indicate that the samples are excellent materials for dental implants.

Rational construction of Z-scheme photocatalysts and exploration of the Z-scheme charge transfer mechanism have drawn much attention in the field of CO2 reduction because of its great potential to alleviate energy crisis and environmental problems. In this study, a series of Z-scheme CdS/BiOI composites were constructed by depositing CdS nanoparticles on the surface of BiOI nanosheets. The synthesized materials were characterized comprehensively, and their photoreduction CO2 activities were evaluated. The results show that the composites exhibit higher photoreduction CO2 activity under visible light irradiation (λ > 400 nm) than pure CdS and BiOI. The yields of CO and CH4 for the optimal composite after 3 h irradiation are 3.32 and 0.54 μmol/g, respectively. The improved photocatalytic activity is attributed to Z-scheme transfer mode of the photogenerated charges in the composites. The mechanism of CO2 reduction is proposed and verified experimentally.

Surface molecularly imprinted polymer of solanesol (SA-SMIP) was prepared by reversed phase suspension polymerization using modified titanium dioxide (TiO2) as carrier, and operation conditions were investigated and optimized. Structures of modified TiO2 and SA-SMIP obtained at optimal conditions were characterized by Fourier transform infrared spectrometer adopting original TiO2 and non-surface molecularly imprinted polymer as reference. The SA-SMIP synthesized under optimal conditions displayed an excellent recognition of SA from the mixture of SA and triacontanol. The maximum separation degree of SA was 2.90. Finally, the adsorption kinetics and isotherm were investigated and analyzed. Adsorption kinetics results indicated that the adsorption of SA-SMIP to SA was a pseudo-second order process, and the adsorption of beginning and later stages was controlled by homogeneous particle diffusion and adsorption reaction process, respectively. Adsorption isotherm results documented hereby were two sorts of bonding sites, complete imprinted cavities and defective imprinted cavities. The adsorption for two bonding sites could be well lined up with the Langmuir model.

Utilizing the experimental and modeling approaches, the Gamma radiation effects on stress responses of the silicon rubber foam under quasistatic compression are investigated. In the experimental work, the samples of the silicon rubber and the silicon rubber foams are quasistatically compressed before and after the Gamma radiation (a dose of 500 kGy and a dose rate of 100 Gy/min). The data reveal that the Gamma radiation obviously increases the material hardness, e.g., the compressive stresses of the silicon rubber and the silicon rubber foams both increase over 5 times as the strain is 20%. In the simulation work, a multiscale method combined with finite element method is developed to numerically predict the compressive stress of the silicon rubber foams. The microscale models are first constructed based on the real microstructures of the silicon rubber foams. The compressive stress and strain relation before and after the Gamma radiation is then simulated and obtained utilizing the phenomenological constitutive models based on the testing data of the silicon rubber. The simulation reveals that the Gamma radiation strongly affects the compressive response of the microscale models. The stress responses of the microscale models are then transferred into the macroscale models. The results also prove that the Gamma radiation obviously increases the hardness of the macroscale models. Data comparison shows that the numerical results agree with the testing data well, which verifies the developed method. The present work develops a new method to predict the radiation effects on mechanical properties of rubber foams.

Flat products of carbon nanotubes (CNTs) reinforced Al matrix composites were fabricated using flake powder metallurgy via shift-speed ball milling and hot-rolling. The evolution of CNTs during preparation and the final distribution in the Al matrix were investigated, and the effect of CNT content on mechanical properties were discussed. Due to the combined effect of uniform dispersion of CNTs, structural integrity, interfacial bonding and directional alignment, the balance between high strength and ductility was successfully achieved in the annealed rolled composites with 1.5 wt% CNT addition, with the value of 382.6 MPa in tensile strength and 9.8% in fracture ductility. The load transfer strengthening was the main mechanism of the strength enhancement with CNTs addition. In addition, a strong rotated cube {001}〈110〉 texture was found in the final flat product of rolled composites. This study provides an effective route to produce and improve the mechanical properties of CNT/Al flat products.

Flexible electrode is an indispensable component of emerging portable, flexible, and wearable electronic devices. Although various flexible electrodes with different dimensions and functions have been explored, developing a new electrode material with excellent mechanical reliability and superior electrical performance remains a challenge. Here, a graphene-covered Cu composite electrode film with a total thickness of ∼100 nm is successfully fabricated onto a flexible polyimide substrate by means of a series of assembly methods including physical vapor deposition, chemical vapor deposition, and transfer technique. The composite electrode film on the flexible substrate exhibits evidently enhanced tensile strength, monotonic bending, and repeatedly bending fatigue reliability as well as electrical performance compared with that of the bared Cu film electrode. Such excellent mechanical performances are attributed to the role of the graphene coating in suppressing fatigue damage formation and preventing crack advance. It is expected that the chemical vapor-deposited graphene-covered Cu composite electrode would extend the potential ultrathin metal film electrode as the innovative electrode material for the next-generation flexible electronic devices.

A mechanical model is developed to explain the influence of grain rotation on nanovoid growth in nanocrystalline solids in the current paper. In the framework of the mechanical model, the dislocations released from the nanovoid surface will be affected by four stresses: the driving stress induced by far-field stress, the stress arising from grain rotation, the image stress caused by the free surface of the nanovoid, and the back stress generated by the previously emitted dislocations. Furthermore, under the condition of different rotational strength and surface effects, we analyzed in detail the influence of the important parameters such as nanovoid radius, nucleation radius, dislocation emission angle, relative distance, rotation grain size, rotation coefficient, and direction angle on the critical stress. Finally, we discuss the effect of the coupling of rotational deformation and the grain boundary on the growth of the nanovoid. As a conclusion, the high stress nearby the nanovoid can be released by grain rotation, which inhibits the growth of the nanovoid.

Polyurethanes (PUs) were synthesized with polyols derived from castor oil and isophorone diisocyanate. The materials were evaluated for their mechanical properties using stress–strain curves, thermogravimetric analysis, differential scanning calorimetry, and contact angle analysis. The biological response of the materials was evaluated by determining their cell viability in vitro, antimicrobial activity against Escherichia coli and Pseudomonas aeruginosa, and biological response in vivo of PUs by means of implanting them in Wistar rats. The cell proliferation on the materials was analyzed using mouse fibroblast L929, human fibroblast MRC-5, and adult human dermal fibroblast (HDFa) cells by the ISO 10993-5 method. The materials showed no toxic effects and promoted cell proliferation. Experiments performed in vivo for 30 days in mice showed that the materials neither affected the wound healing process nor caused adverse effects or severe injuries in the dorsal mid-cervical tissue or organs on histological evaluation. PUs synthesized can be used in biomedical devices.

The microstructure of carbon quantum dots (CQDs) has a great influence on their fluorescence properties. Here, different microstructures of CQDs were synthesized by the selective oxidation of graphitized activated carbon using HNO3/HClO4 as the oxidant. We characterized the microstructure and surface chemistry of the CQDs, and the results show that the degree of graphitization of activated carbon has a significant effect on the structure and fluorescence properties of the obtained CQDs. The fluorescence of the CQD solution can be tuned from yellow to green by regulating the degree of graphitization of the activated carbon by heat treatment at high temperature (up to 2500 °C). Moreover, the increased degree of graphitization of the raw carbon precursor is beneficial for significantly reducing the fluorescence self-absorption quenching of the concentrated CQD solution. Importantly, the as-prepared CQDs have no cytotoxicity and can be used as bioimaging agents.

The effects of silicon incorporation on the in vitro and in vivo properties of magnesium phosphate (MgP) bioceramics were studied. Samples were prepared by conventional solid state synthesis method. Scanning electron microscopy and micro-computed tomography (µ-CT) analysis showed that Si doping reduces degradability of MgP. In vitro studies have shown that MG63 cells can attach and proliferate on MgP samples. Live/dead imaging showed that MgP–0.5Si sample had highest cell proliferation, which was also quantitatively confirmed by alamar blue assay. In vivo biocompatibility of MgP ceramics was assessed after implantation in rabbit model. Detailed µ-CT analysis showed new bone tissue formation around the implant after 30 and 90 days. MgP–0.5Si ceramics had 84% bone regeneration compared with 56% for pure MgP ceramics, as confirmed by oxytetracycline labeling. Our finding suggests that Si doping can alter physicochemical properties of MgP ceramics and promotes osseointegration, which can be a useful choice for bone tissue engineering.

In this paper, the hardness and Young’s moduli along the diffusion paths in fcc Ni–X (X = Rh, Ta, W, Re, Os, and Ir) binary diffusion couples were measured by using the nanoindentation technique. Hardness increases gradually from the pure Ni to the fcc Ni–X alloys, except for the Ni–Os system. While the Young’ moduli in fcc Ni–X alloys scatter much larger and do not show noticeable variation with the addition of element X. After that, the CALPHAD models for description of the composition-dependent hardness and Young’s modulus were proposed, and an in-house code was developed. Based on the present experimental data, the CALPHAD-type descriptions for hardness and Young’s modulus in fcc Ni–X (X = Rh, Ta, W, Re, Os, and Ir) systems were obtained. The model-predicted hardness and Young’s moduli of composition dependence agree with the experimental data in general. It is anticipated that the presently obtained CALPHAD-type hardness and Young’s modulus descriptions, together with the previous thermodynamic and atomic mobility databases, can be used for the future alloy design of novel Ni-based superalloys.

In this work, hierarchical mesoporous Zn–Ni–Co–S–rGO/NF microspheres have been prepared by hydrothermal, sulfurization, and subsequent calcination process. The effect of different sulfurization time on the morphology and capacitance of composites was tested. The high electrochemical performance of (Zn–Ni–Co–S–rGO/NF) composite was obtained when the sulfurization time was 3 h (Zn–Ni–Co–S–rGO/NF-3h), where a specific capacitance of 627.7 F/g at 0.25 A/g and excellent rate capability of about 97.8% capacitance retention at 2 A/g after 4000 cycles were achieved. Moreover, an asymmetric supercapacitor fabricated by (Zn–Ni–Co–S–rGO/NF-3h) composite and activated carbon (AC) as the positive and the negative electrodes, respectively, showed a high energy density of 75.96 W h/kg at a power density of 362.49 W/kg with a remarkable cycle stability performance of 91.2% capacitance retention over 5000 cycles. This incredible electrochemical behavior illustrates that the hierarchical mesoporous Zn–Ni–Co–S–rGO/N-3h microsphere electrodes are promising electrode materials for application in high-performance supercapacitors.

In this study, a niobium-reinforced hydroxyapatite (HA-Nb) coating was developed on cobalt–chromium (CoCr) alloy by plasma spraying with three varied levels, i.e., 10, 20, and 30% of weight percent (wt%) of Nb content. The corrosion behavior and biocompatibility of the samples were analyzed through electrochemical corrosion testing and cytotoxicity studies, respectively. The results of corrosion testing revealed that the HA coating increased the corrosion resistance of the CoCr alloy, and with the incremental increase of Nb reinforcement in HA, corrosion resistance was further enhanced. The HA-30Nb coating demonstrated the finest corrosion resistance with the highest Ecorr and lowest Icorr values, which were about one order of magnitude lower in comparison to the bare CoCr alloy. The surface hardness increased and the surface roughness decreased with the increase of Nb content in the coating. Wettability analysis revealed that HA and HA-Nb coatings had a hydrophilic nature. HA-Nb coatings demonstrated a significantly better cell proliferation than the CoCr alloy.

We assess the validity of criteria based on size mismatch and thermodynamics in predicting the stability of the rare class of high-entropy alloys (HEAs) that form in the hexagonal close-packed crystal structure. We focus on nanocrystalline HEA particles composed predominantly of Mo, Tc, Ru, Rh, and Pd along with Ag, Cd, and Te, which are produced in uranium dioxide fuel under the extreme conditions of nuclear reactor operation. The constituent elements are fission products that aggregate under the combined effects of irradiation and elevated temperature as high as 1200 °C. We present the recent results on alloy nanoparticle formation in irradiated ceria, which was selected as a surrogate for uranium dioxide, to show that radiation-enhanced diffusion plays an important role in the process. This work sheds light on the initial stages of alloy nanoparticle formation from a uniform dispersion of individual metals. The remarkable chemical durability of such multiple principal element alloys presents a solution, namely, an alloy waste form, to the challenge of immobilizing Tc.

The oxidation behavior of nanograined and coarse-grained alloys may differ significantly. This empirical observation has been justified on the basis of accelerated grain boundary diffusion. However, thermal destabilization of nanograined microstructures studied in model sputter deposited NiCrAl alloys progresses concurrently with the onset of oxidation. This phenomenon makes it challenging to pinpoint the specific contribution of the original grain boundary network. In this study, dilute additions of Y are used to delay the onset of microstructural evolution at elevated temperatures through nanocluster formation and grain boundary pinning. The enhanced microstructural stability resulted in measurably different oxide morphologies during the transient stages of oxidation and slower oxidation rates overall. This coupling between the earliest stages of oxidation and microstructural evolution are directly manipulated to study fundamental oxidation processes in sputtered NiCrAl. Insights gained from this study may ultimately be used to develop novel strategies for improved oxidation resistance in structural alloys.

In this study, we investigated the elastic constants, moduli, hardness, and electronic structures of Ti–Al intermetallic compounds (TiAl, Ti3Al, and TiAl3) using first-principles calculations. The cohesive energy and formation enthalpy of these compounds are negative, which indicates that they are thermodynamically stable. We calculated the elastic constants and moduli using the stress–strain method and Voigt–Reuss–Hill approximation, respectively. We evaluated the mechanical anisotropy of these compounds using the anisotropic index and found that the results are in good agreement with other experimental and theoretical data. We evaluated the chemical bonding of these compounds by calculating their density of states, the results of which revealed that the bonding behavior of all Ti–Al intermetallic compounds involved a mixture of metallic and covalent bonds. We also estimated the Debye temperature and sound velocities of these Ti–Al intermetallic compounds.

In this work, graphene and graphene oxide were synthesized by the modified Hummers method. In order to use graphene in dye-sensitized solar cell (DSSC), TiO2–graphene was prepared by a simple chemical method and used in the DSSC photoanode at different concentrations of graphene to investigate DSSC performance. Utilizing the FE-SEM images, it was observed that accumulation of TiO2 nanoparticles disappeared and a different distribution of nanoparticles was formed on the graphene sheet. Moreover, the UV-vis spectra showed that TiO2–graphene nanocomposites can absorb a wide range of light in comparison with pure TiO2. Structural characterization of TiO2–graphene nanocomposites is confirmed by the FT-IR and Raman analysis. The results have shown that in the presence of graphene, the DSSC performance significantly improved by reducing the recombination. In addition, it has been shown that excess graphene concentration is not proper for DSSC performance. The best result for TiO2–graphene nanocomposite was obtained when the concentration of 1.5% graphene was applied.

The hierarchical Au-loaded SnO2 nanoflowers were synthesized using a new developed self-reductive hydrothermal method, of which the gas-sensing properties were enhanced significantly. The SnO2 hierarchical nanoflowers were composed of well-defined nanosheets with a specific surface area of around 84 m2/g. Gas sensors made of pure and Au-doped SnO2 were fabricated, and their gas-sensing properties were characterized. The 1.0 at.% Au-loaded SnO2 sensor prepared by the new developed self-reductive method showed much more excellent selectivity toward ethanol at 200 °C than the one prepared with the conventional hydrothermal method. Its response to ethanol was around 3 times higher than that of the pure SnO2 sensor. A very wide detection range of 1–500 ppm for ethanol, good repeatability, and long-term stability were also approved.