Physical properties of microwave and solid state synthesized La0.7Na0.3MnO3

We report the structural, magnetic, electrical and broadband microwave absorption in La_0.7Na_0.3MnO₃ sample synthesized by microwave (MW) irradiation (Na_0.3LMO_MW) and compare them to the sample synthesized by solid-state (SS) reaction method (Na_0.3LMO_SS). Single phase Na_0.3LMO_MW was synthesized at 800 °C in 30 min, whereas, Na_0.3LMO_SS sample was obtained by sintering at 1200 °C for 48 h. Although both these samples show ferromagnetic transition at T_C ～324.8 K, the MW-synthesized sample shows distinct physical properties: broad ferromagnetic transition, smaller saturation magnetization, a large difference between the magnetic ordering and metal-insulator transition temperatures, a large high-field magnetoresistance, a table top-like magnetocaloric effect, and a large low-field microwave absorption compared to the solid state synthesized sample. These differences are suggested to arise from magnetic heterogeneity induced by smaller grain size and surface spin disorder in the MW synthesized La_0.7Na_0.3MnO₃.     

Self-optimized and renewable Ni–Co alloy@Co–Co2C catalyst for higher alcohols synthesis from syngas

Higher alcohols synthesis (HAS) from syngas (CO/H₂) has attracted widespread attention, while the low selectivity and poor stability of the catalysts mainly stumbled its industrial application. In the work, Ni–Co alloy nanoparticles (NPs) derived from Co_1-xNi_xAl₂O₄ loaded on the SiO₂ with large specific surface area were prepared; and during reaction, the highly dispersed Ni–Co alloys were self-optimized to Ni–Co alloy@Co–Co₂C. Importantly, Ni–Co alloy@Co–Co₂C can be regenerated through oxidation - reduction - self-optimization process. Characteristic results indicated that the structural liberalization during the reaction process inhibited the loss of Ni, regulated and balanced the dual active sites of the catalyst and the Ni–Co alloys were regenerated after the re-oxidation and re-reduction process. The optimized catalyst exhibited excellent catalytic performance, including a high total selectivity to alcohols of 39.3% and an excellent catalytic stability at 250 °C, 3.5 MPa (H₂/CO = 2) and a space velocity of 6000 mL (g_cat h)^?1. In addition, the Ni–Co alloy@Co–Co₂C catalyst after stability test could recover its original catalytic performance after re-oxidation and re-reduction. The renewable characteristics and superior catalytic performance of Ni–Co alloy@Co–Co₂C made the catalyst to be one of the potential industrial catalysts for HAS.     

Crystallization behavior and density functional theory study of solution combustion synthesized silicon doped calcium phosphates

The influence of heat-treatment temperatures (700 °C, 900°C, 1200 °C) on the phase, physical properties, crystallization rate, and in vitro properties of the solution combustion synthesized silicon-doped calcium phosphates (CaPs) were investigated. The thermodynamic aspects (enthalpy, entropy, and free energy) of the synthesis process and the crystallographic properties of the final samples were first predicted and then confirmed using density functional theory (DFT). Results demonstrated that the crystallization rate was controlled by the fuel(s) type (glycine, citric acid, and urea) and the amounts of Si⁴⁺ ions (0, 0.1, 0.4 mol). The highest calculated crystallization rate values of the un-doped, 0.1, and 0.4 mol Si-doped samples were 64%, 22%, 38%, respectively. The obtained results from the DFT simulation revealed that crystal growth in the direction of c-axis of hydroxyapatite (HAp) structure could change the stability of (001) surface of (HAp). Also, the computational data confirmed the adsorption of Si–OH groups on the (001) surface of HAp during the SCS process with an adsorption energy of 1.53 eV. AFM results in line with DFT simulation showed that the observed change in the surface roughness of Si-doped CaPs from 2 to 8 nm could be related to the doping of Si⁴⁺ ions onto the surface of CaPs. Besides, the theoretical and experimental investigation showed that crystal growth and doping of Si⁴⁺ ions could decrease the activation energy of oxygen reduction reaction (ORR). Furthermore, the results showed that the crystallized HAp structure could have great potential to efficiently reduce oxidative stress in human body.     

Techno-economic-environmental evaluation of a combined tri and dry reforming of methane for methanol synthesis with a high efficiency CO2 utilization

Production of methanol, as a green energy, from syngas is coming into focus. However, natural gas based methanol plants, which are used steam reforming of methane for syngas production, have a high CO₂ emission resulting in the global warming. In this study, a novel process for methanol synthesis is proposed to reduce CO₂ emission. In this regard, natural gas and flue gas are fed to a parallel-series system with tri and dry reforming of methane for syngas production with the optimized stoichiometric number. Then, the produced syngas is converted to methanol in a reactor. Finally, the produced methanol is purified by two distillation towers. The proposed method is compared to a referenced method in the view of technological, economic and environmental metrics. The techno-economic-environmental analysis of the processes reveals that not only the proposed method, as compared to the referenced one, increases CO₂ conversion from 20.93% to 99.22%, but also it is more economical and environmentally friendly. In addition, the global warming potential of the proposed method is almost 60% lower than that for the referenced method due to the lower CO₂ emission. Therefore, the proposed method can save above MUS$ 8 a year by CO₂ capture.     

Authenticity green coffee bean species and geographical origin using near-infrared spectroscopy combined with chemometrics

To prevent the adulteration of agricultural resources and provide a solution to enhance the green coffee bean supply chain, authentication using the near-infrared spectroscopy (NIRS) technique was investigated. Partial least square with discrimination analysis (PLS-DA) models combined with various preprocessing methods were built from NIR spectra of 153 Vietnamese green coffee samples. The model combined with the standard normal variate and the first order of derivative yielded excellent performance in predicting coffee species with the error cross-validation of 0.0261. PLS-DA model of mean centre and first-order derivative spectra also yielded good performance in verifying geographical indication of green coffee with the error of 0.0656. By contrast, the predicting abilities of post-harvest methods were poor. The overall results showed a high potential of the NIRS in online authentication practices.     

Green Measurements for Software Product Based on Sustainability Dimensions

Software is a central component in the modern world and vastly affects the environment’s sustainability. The demand for energy and resource requirements is rising when producing hardware and software units. Literature study reveals that many studies focused on green hardware; however, limited efforts were made in the greenness of software products. Green software products are necessary to solve the issues and problems related to the long-term use of software, especially from a sustainability perspective. Without a proper mechanism for measuring the greenness of a particular software product executed in a specific environment, the mentioned benefits will not be attained. Currently, there are not enough works to address this problem, and the green status of software products is uncertain and unsure. This paper aims to identify the green measurements based on sustainable dimensions in a software product. The second objective is to reveal the relationships between the elements and measurements through empirical study. The study is conducted in two phases. The first phase is the theoretical phase, where the main components, measurements and practices that influence the sustainability of a software product are identified. The second phase is the empirical study that involved 103 respondents in Malaysia investigating current practices of green software in the industrial environment and further identifying the main sustainability dimensions and measurements and their impact on achieving green software products. This study has revealed seven green measurements of software product: Productivity, Usability, Cost Reduction, Employee Support, Energy Efficiency, Resource Efficiency and Tool Support. The relationships are statistically significant, with a significance level of less than 0.01 (p = 0.000). Thus, the hypothesised relationships were all accepted. The contributions of this study revolve around the research perspectives of the measurements to attain a green software product.     

Photocatalytic performance of β-Ga2O3 microcubes towards efficient degradation of malachite green

In this work, the photocatalytic degradation of malachite green (MG) solutions by β-Ga₂O₃ was investigated. The latter was synthetized by reacting gallium nitrate with concentrated formic acid, which produced gallium formate. The thermal decomposition of this compound at 850 °C produced single-phase β-Ga₂O₃. The resulting morphology corresponds to non-agglomerated microcubes, with a size in the range of 0.8 and 2.3 μm. The surface chemical composition and bandgap energy of this oxide were determined by X-ray photoelectron spectroscopy (XPS) and the Tauc method, respectively. The photodegradation of MG was carried out under violet light (λ = 405 nm), at room temperature, using the as-prepared powder. The results revealed a fast degradation of the dye during the first 20 min, which attenuates over time. The rate of photodegradation depends on the amount of β-Ga₂O₃ used and can be fitted by an exponential equation. The role of free hydroxyl radicals and reactive oxygen species in photocatalysis was addressed by using analytic techniques (FTIR and XPS).     

Formation of single-crystalline BaTiO3 nanorods from glycolate by tuning the supersaturation conditions

We have studied peculiarities in the formation of single-crystalline barium titanate (BaTiO₃) nanorods from a glycolate-mediated complex via a single-step hydrothermal process under different supersaturation (S_R) conditions. X-ray diffraction (XRD) showed the formation of pure BaTiO₃ with an S_R of above 19. The tetragonality for the BaTiO₃ (c/a) reached 1.013 at S_R = 19–29 and dropped to 1.010 for S_R = 39. According to the transmission electron microscopy (TEM) and XRD analyses, the rod-shaped particles exhibited single crystallinity and crystal growth along the [001] plane. With scanning electron microscopy (SEM), the morphological evolution from a plate-shaped intermediate precursor (S_R = 6–9) to a rod-shaped product with an aspect ratio of 6–9 (S_R = 19–29), and to non-polar material with an irregular structure (S_R = 39), was observed. The negative slope, linear dependence of the particles’ width and length on the supersaturation level in the range S_R = 19–39 was established for the first time. The replacement of the prevailing crystallization mechanism from in-situ topotactic transformation into dissolution-precipitation above S_R = 19 was observed. It was shown that with a simple regulation of the S_R, the structural and morphological characteristics of the obtained BaTiO₃ nanoparticle can be effectively tuned.     

Photoluminescence and hydrogen evolution properties of ZnS:Eu quantum dots

In the era of Photonics, design and development of novel rare earth ion-doped quantum dots (QDs) for optoelectronic applications has gained significant interest owing to their outstanding characteristics. Simultaneously, the creation of a new class of photocatalytic materials on the nanoscale is also imperative for environmental purification. Thus, we report on wet chemical synthesis, the structural, morphological, and optical characteristics, fluorescence, and hydrogen evolution of ZnS:Eu (0, 2, 4, and 6 at%) QDs for optoelectronic and photocatalytic applications. Comprehensive structural studies depicted that Eu³⁺ ions were efficiently substituted into the host matrix and altered the original structure of the ZnS compound. The emission spectra of the ZnS:Eu QDs exhibited distinctive red fluorescence owing to the transition of dopant ions in ⁵D₀ - ⁷F₁, ⁵D₀ - ⁷F₂, ⁵D₀ - ⁷F₃, and ⁵D₀ - ⁷F₄ energy levels of the 4f orbital of the Eu³⁺ ions. Moreover, the photocatalytic properties of ZnS:Eu (6 at%) QDs possess better catalytic efficiency toward hydrogen evolution through a water splitting mechanism under simulated sunlight irradiation. The observed photocatalytic phenomenon in the synthesized samples agreed well with the luminescence properties exhibited by the QDs.     

Synthesis of thermoresponsive copolymer/silica-coated magnetite nanoparticle composite and its application for heavy metal ion recovery

To enhance chemical stability and suppress of aggregation of magnetite nanoparticles (MNPs), which are used as a support for thermoresponsive copolymer immobilization, silica coating of the MNPs is applied via the electrooxidation method. Although the resulting silica coated-MNPs also formed aggregates, the size distribution of the aggregate shifted to smaller size range. Because of that, the surface area available for copolymer immobilization increased approximately 6.7 times at maximum as compared with that of the uncoated MNPs. It contributed to the increase of the amount of the immobilized copolymer on the silica-coated MNPs, which is approximately four times larger than that on the uncoated MNPs. Fe₃O₄ dissolution test confirmed enhancement of chemical stability of MNPs. The thermoresponsive copolymer immobilized on the silica-coated MNPs shows the ability to recycle Cu(II) ion from Cu(II) containing solution by changing temperature with significantly shorter time than those in other thermoresponsive adsorbents in gel form.