Exploring half-metallic ferromagnetism and thermoelectric properties of Tl2WX6 (X = Cl and Br) double perovskites.

Half-metallic semiconductors typically exhibit 100% spin polarization at the Fermi level which makes them desired materials for spintronic applications. In this study, we reported a half-metallic ferromagnetic nature in vacancy-ordered double perovskites Tl2WX6 (X = Cl and Br). The magnetic, electronic, and thermoelectric properties of the material are studied by the use of density functional theory (DFT). For the calculations of exchange-correlation potential, PBE-sol is employed while more accurate electronic band structure and density of states (DOS) are calculated by the mBJ potential. Both materials exhibited structural stability in the cubic structure with Fm3̄m space-group. The mechanical stability is confirmed by their computed elastic constants while their thermodynamic stability is attested by negative formation energy. The spin-based volume optimization suggested the ferromagnetic nature of the materials which is further confirmed by the negative value of the exchange energy Δ x(pd). Moreover, computed magnetic moment value for Tl2WCl6 and Tl2WBr6 is 2 µB and the majority of this comes from W. The spin-polarized band structure and DOS confirmed that both materials are half-metallic and at the Fermi level they exhibit 100% spin polarization. Furthermore, in the spin-down state, materials behave as semiconductors with wide bandgaps. Lastly, the thermoelectric properties are evaluated by the BoltzTrap code. The thermoelectric parameters which include the Seebeck coefficient, electrical conductivity, thermal conductivity, power factor, and figure of merit (ZT) are investigated in the range of temperatures from 200 to 800 K. The half-metallic ferromagnetic and thermoelectric characteristics make these materials desired for spintronics and thermoelectric applications.

Physical properties of ferromagnetic Mn-doped double perovskites (DPs) Cs2AgInCl/Br6 for spintronics and solar cell devices: DFT calculations.

A computational framework based on density functional theory (DFT) has been effectively employed to investigate the wide-ranging physical characteristics of ferromagnetic manganese (Mn)-substituted double perovskites (DPs) with composition Cs2AgIn1-xMnxCl/Br6 (x = 0.0, 0.25). This research covers a systematic exploration of the mentioned DPs for potential applications in the domains of spintronics and energy conversion devices. The physics concerning ferromagnetic (FM) Cs2AgIn0.75Mn0.25Cl/Br6 DPs was studied computationally using the modified Becke-Johnson (mBJ-LDA) potential and the generalized gradient approximation (PBEsol GGA) method introduced by Perdew, Burke, and Ernzerhof. The structural, electronic, magnetic, and transport behavior of materials were investigated using these computations. Structural parameters for both perovskite materials were computed subsequent to their optimization in FM phase. According to evaluations of the electronic band structure and density of states (DOS), the incorporation of Mn ions into the host lattice causes exchange splitting induced by p-d hybridization, consequently stabilizing the FM state. Probing the sharing of magnetic moment, charge, and spin between the substituent cations and the host anions led to the comprehensive elaboration of this exchange splitting of bands. Important parameters such as exchange constants (N0α, N0ß), and direct spin-exchange splitting Δx(d), support the stability of the FM state. Finally, we briefly explored the spin effect on other aspects of electronic transport, the Seebeck coefficient, and the power factor, using the conventional Boltzmann transport theory.

Exploring the redox characteristics of porous ZnCoS@rGO grown on nickel foam as a high-performance electrode for energy storage applications.

A supercapattery is a device that combines the properties of batteries and supercapacitors, such as power density and energy density. A binary composite (zinc cobalt sulfide) and rGO are synthesized using a simple hydrothermal method and modified Hummers' method. A notable specific capacity (Cs) of 1254 C g-1 is obtained in the ZnCoS@rGO case, which is higher than individual Cs of ZnS (975 C g-1) and CoS (400 C g-1). For the asymmetric (ASC) device (ZnCoS@rGO//PANI@AC), the PANI-doped activated carbon and ZnCoS@rGO are used as the cathode and anode respectively. A high Cm of 141 C g-1 is achieved at 1.4 A g-1. The ASC is exhibited an extraordinary energy density of 45 W h kg-1 with a power density 5000 W kg-1 at 1.4 A g-1. To check the stability of the device, the ASC device is measured for 2000 charging/discharging cycles. The device showed improved coulombic efficiency of 94%. These findings confirmed that the two-dimensional materials provide the opportunities to design battery and supercapacitor hybrid devices.

Polyethylene glycol and chitosan functionalized manganese oxide nanoparticles for antimicrobial and anticancer activities.

Biocompatible polymer-functionalized magnetic nanoparticles could offer promising applications in biomedical sciences. We fabricated polymer functionalized tri-manganese tetra oxide (Mn3O4) nanoparticles with the co-precipitation method and an octahedral crystal structure having a crystallite size of 10-17 nm was identified via XRD analyses. The SEM graph depicted the non-uniform and smooth surface of PEG-functionalized Mn3O4 NPs as compared to Mn3O4 and chitosan-coated Mn3O4 NPs. Elemental composition in the prepared sample was examined by EDX analysis. Various modes such as MnO, MnOH, OH, symmetric, and anti-symmetric of CH2 attached to the spectrum of Mn3O4 NPs were observed with FTIR analysis. The magnetization factor decreased and increase the coreacivity and retentivity of surface functionalized Mn3O4-NPs was calculated via VSM analysis. In-vitro bioassay, antibacterial activity was tested against Escherichiacoli, Bacillus cereus, and anti-fungal activities against two Fusarium strains indicated clear antimicrobial activities. The MTT assay to examine the anticancer activity against the MCF-7 cancer cell line was performed and the T1 MRI contrast agent demonstrated that PEG-coated Mn3O4 NPs exhibited anti-cancer activities. We propose that surface-functionalized magnetic NPs used for the treatment of cancer by using a remote controlled process of hyperthermia therapy.

Effect of Plasma-Treated Water with Magnesium and Zinc on Growth of Chinese Cabbage.

Nonthermal biocompatible plasma (NBP) is an emerging technology in the field of agriculture to boost plant growth. Plasma is a source of various gaseous reactive oxygen and nitrogen species (RONS) and has a promising role in agricultural applications, as the long-lived RONS (H2O2, NO2-, NO3-) in liquid activate signaling molecules in plant metabolism. Plasma-treated water (PTW) has an acidic pH of around 3 to 4, which may be detrimental to pH-sensitive plants. Innovative techniques for producing PTW with a pH value of 6 to 7 under neutral circumstances are desperately required to broaden the application range of NBP in agriculture. Furthermore, Pak Choi (Brassica campestris L.) is a Brassicaceae family green vegetable that has yet to be investigated for its response to NBP. In this work, we proposed an alternate method for neutralizing the pH of PTW by immersing metal ions (Mg2+ and Zn2+) in the PTW and observing its effect on Pak Choi. After synthesizing PTW with MECDBD, we analyzed germination rate and growth parameters, then seedlings for 42 days to show physiological, biochemical, and molecular levels. The germination rate was observed to be higher with PTW and more efficient when metal ions were present. Seedling length and germination rates were dramatically boosted when compared to DI water irrigation. Because of the increased chlorophyll and protein content, the plants responded to the availability of nitrogen by generating highly green leaves. Furthermore, we observed that PTW increases the expression of NR genes and GLR1 genes, which are further increased when metals are submerged in the PTW. Furthermore, PTW and PTW with metals reduced ABI5 and CHO1 which is associated with a growth inhibitor. According to this study, nonthermal plasma might be utilized to significantly improve seed germination and seedlings' development.

ROS production in response to high-power microwave pulses induces p53 activation and DNA damage in brain cells: Radiosensitivity and biological dosimetry evaluation.

Background: Pulsed high-power microwave (HPM) has many applications and is constantly being researched to expand its uses in the future. As the number of applications grows, the biological effects and safety level of pulsed HPM become a serious issue, requiring further research. Objective: The brain is regarded as the most vulnerable organ to radiation, raising concerns about determining an acceptable level of exposure. The effect of nanosecond pulses and the mechanisms underlying HPM on the brain has not been studied. For the first time, we observed the effect of pulsed 3.5 GHz HPM on brain normal astrocytes and cancer U87 MG cells, as well as the likely mechanisms involved. Methods: To generate 3.5 GHz HPM, an axial virtual cathode oscillator was constructed on pulsed power generator "Chundoong". The cells were directly exposed to HPM (10, 25, 40, and 60) pulses (1 mJ/pulse), with each pulse delivered after 1 min of charging time to evaluate the dose dependent effects. Results: A strong electric field (∼23 kV/cm) of HPM irradiation primarily causes the production of reactive oxygen species (ROS), altering cell viability, mitochondrial activity, and cell death rates in U87 and astrocytes at certain dosages. The ROS generation in response to HPM exposure was primarily responsible for DNA damage and p53 activation. The hazardous dosage of 60 pulses is acknowledged as having damaging effects on brain normal cells. Interestingly, the particular 25 pulses exhibited therapeutic effects on U87 cells via p53, Bax, and Caspase-3 activation. Conclusion: HPM pulses induced apoptosis-related events such as ROS burst and increased oxidative DNA damage at higher dosages in normal cells and specific 25 pulses in cancer U87. These findings are useful to understand the physiological mechanisms driving HPM-induced cell death, as well as the safety threshold range for HPM exposure on normal cells and therapeutic effects on cancer U87. As HPM technology advances, we believe this study is timely and will benefit humanity and future research.

Effect of Plasma On-Time with a Fixed Duty Ratio on Reactive Species in Plasma-Treated Medium and Its Significance in Biological Applications.

Optimizing the therapeutic range of nonthermal atmospheric pressure plasma (NTAPP) for biomedical applications is an active research topic. For the first time, we examined the effect of plasma on-times in this study while keeping the duty ratio and treatment time fixed. We have evaluated the electrical, optical, and soft jet properties for two different duty ratios of 10% and 36%, using the plasma on-times of 25, 50, 75, and 100 ms. Furthermore, the influence of plasma on-time on reactive oxygen and nitrogen species (ROS/RNS) levels in plasma treated medium (PTM) was also investigated. Following treatment, the characteristics of (DMEM media) and PTM (pH, EC, and ORP) were also examined. While EC and ORP rose by raising plasma on-time, pH remained unchanged. Finally, the PTM was used to observe the cell viability and ATP levels in U87-MG brain cancer cells. We found it interesting that, by increasing the plasma on-time, the levels of ROS/RNS dramatically increased in PTM and significantly affected the viability and ATP levels of the U87-MG cell line. The results of this study provide a significant indication of advancement by introducing the optimization of plasma on-time to increase the efficacy of the soft plasma jet for biomedical applications.

Characteristics of a Rollable Dielectric Barrier Discharge Plasma and Its Effects on Spinach-Seed Germination.

We investigated the characteristics of a rollable dielectric barrier discharge (RDBD) and evaluate its effects on seed germination rate and water uptake. The RDBD source was composed of a polyimide substrate and copper electrode, and it was mounted in a rolled-up structure for omnidirectional and uniform treatment of seeds with flowing synthetic air gas. The rotational and vibrational temperatures were measured to be 342 K and 2860 K, respectively, using optical emission spectroscopy. The chemical species analysis via Fourier-transform infrared spectroscopy and 0D chemical simulation showed that O3 production was dominant and NOx production was restrained at the given temperatures. The water uptake and germination rate of spinach seeds by 5 min treatment of RDBD was increased by 10% and 15%, respectively, and the standard error of germination was reduced by 4% in comparison with the controls. RDBD enables an important step forward in non-thermal atmospheric-pressure plasma agriculture for omnidirectional seed treatment.

Nonthermal Biocompatible Plasma Inactivation of Coronavirus SARS-CoV-2: Prospects for Future Antiviral Applications.

The coronavirus disease (COVID-19) pandemic has placed a massive impact on global civilization. Finding effective treatments and drugs for these viral diseases was crucial. This paper outlined and highlighted key elements of recent advances in nonthermal biocompatible plasma (NBP) technology for antiviral applications. We searched for papers on NBP virus inactivation in PubMed ePubs, Scopus, and Web of Science databases. The data and relevant information were gathered in order to establish a mechanism for NBP-based viral inactivation. NBP has been developed as a new, effective, and safe strategy for viral inactivation. NBP may be used to inactivate viruses in an ecologically friendly way as well as activate animal and plant viruses in a number of matrices. The reactive species have been shown to be the cause of viral inactivation. NBP-based disinfection techniques provide an interesting solution to many of the problems since they are simply deployable and do not require the resource-constrained consumables and reagents required for traditional decontamination treatments. Scientists are developing NBP technology solutions to assist the medical community in dealing with the present COVID-19 outbreak. NBP is predicted to be the most promising strategy for battling COVID-19 and other viruses in the future.

Review of Developments in Combating COVID-19 by Vaccines, Inhibitors, Radiations, and Nonthermal Plasma.

Global society has been highly pressured by the COVID-19 pandemic, which has exposed vulnerabilities in supply chains for disinfection products, personal protective equipment, and medical resources worldwide. It is critically necessary to find effective treatments and medications for these viral infections. This review summarizes and emphasizes critical features of recent breakthroughs in vaccines, inhibitors, radiations, and innovative nonthermal atmospheric plasma (NTAP) technologies to inactivate COVID-19. NTAP has emerged as an effective, efficient, and safe method of viral inactivation. NTAP can be used to inactivate viruses in an environmentally friendly manner, as well as activate animal and plant viruses in a variety of matrices. Researchers and engineers desire to help the medical world deal with the ongoing COVID-19 epidemic by establishing techniques that make use of widely available NTAP technologies. NTAP technology is not dependent on viral strain, and it does not necessitate months or years of research to develop specific vaccines for each novel or arising viral disease. We believe the NTAP is a highly promising technique for combating COVID-19 and other viruses. Thus, NTAP technology could be a significant breakthrough in the near future in assisting humans in combating COVID-19 infections. We hope that this review provides a platform for readers to examine the progress made in the fight against COVID-19 through the use of vaccines, inhibitors, radiation, and NTAP.

Microwave Radiation and the Brain: Mechanisms, Current Status, and Future Prospects.

Modern humanity wades daily through various radiations, resulting in frequent exposure and causing potentially important biological effects. Among them, the brain is the organ most sensitive to electromagnetic radiation (EMR) exposure. Despite numerous correlated studies, critical unknowns surround the different parameters used, including operational frequency, power density (i.e., energy dose), and irradiation time that could permit reproducibility and comparability between analyses. Furthermore, the interactions of EMR with biological systems and its precise mechanisms remain poorly characterized. In this review, recent approaches examining the effects of microwave radiations on the brain, specifically learning and memory capabilities, as well as the mechanisms of brain dysfunction with exposure as reported in the literature, are analyzed and interpreted to provide prospective views for future research directed at this important and novel medical technology for developing preventive and therapeutic strategies on brain degeneration caused by microwave radiation. Additionally, the interactions of microwaves with biological systems and possible mechanisms are presented in this review. Treatment with natural products and safe techniques to reduce harm to organs have become essential components of daily life, and some promising techniques to treat cancers and their radioprotective effects are summarized as well. This review can serve as a platform for researchers to understand the mechanism and interactions of microwave radiation with biological systems, the present scenario, and prospects for future studies on the effect of microwaves on the brain.

Evaluation of non-thermal effect of microwave radiation and its mode of action in bacterial cell inactivation.

A growing body of literature has recognized the non-thermal effect of pulsed microwave radiation (PMR) on bacterial systems. However, its mode of action in deactivating bacteria has not yet been extensively investigated. Nevertheless, it is highly important to advance the applications of PMR from simple to complex biological systems. In this study, we first optimized the conditions of the PMR device and we assessed the results by simulations, using ANSYS HFSS (High Frequency Structure Simulator) and a 3D particle-in-cell code for the electron behavior, to provide a better overview of the bacterial cell exposure to microwave radiation. To determine the sensitivity of PMR, Escherichia coli and Staphylococcus aureus cultures were exposed to PMR (pulse duration: 60 ns, peak frequency: 3.5 GHz) with power density of 17 kW/cm2 at the free space of sample position, which would induce electric field of 8.0 kV/cm inside the PBS solution of falcon tube in this experiment at 25 °C. At various discharges (D) of microwaves, the colony forming unit curves were analyzed. The highest ratios of viable count reductions were observed when the doses were increased from 20D to 80D, which resulted in an approximate 6 log reduction in E. coli and 4 log reduction in S. aureus. Moreover, scanning electron microscopy also revealed surface damage in both bacterial strains after PMR exposure. The bacterial inactivation was attributed to the deactivation of oxidation-regulating genes and DNA damage.

Low-Temperature Plasma-Assisted Nitrogen Fixation for Corn Plant Growth and Development.

Nitrogen fixation is crucial for plants as it is utilized for the biosynthesis of almost all biomolecules. Most of our atmosphere consists of nitrogen, but plants cannot straightforwardly assimilate this from the air, and natural nitrogen fixation is inadequate to meet the extreme necessities of global nutrition. In this study, nitrogen fixation in water was achieved by an AC-driven non-thermal atmospheric pressure nitrogen plasma jet. In addition, Mg, Al, or Zn was immersed in the water, which neutralized the plasma-treated water and increased the rate of nitrogen reduction to ammonia due to the additional hydrogen generated by the reaction between the plasma-generated acid and metal. The effect of the plasma-activated water, with and without metal ions, on germination and growth in corn plants (Zea Mays) was investigated. The germination rate was found to be higher with plasma-treated water and more efficient in the presence of metal ions. Stem lengths and germination rates were significantly increased with respect to those produced by DI water irrigation. The plants responded to the abundance of nitrogen by producing intensely green leaves because of their increased chlorophyll and protein contents. Based on this report, non-thermal plasma reactors could be used to substantially enhance seed germination and seedling growth.

Pulsed 3.5 GHz high power microwaves irradiation on physiological solution and their biological evaluation on human cell lines.

Microwave (MW) radiation is increasingly being used for several biological applications. Many investigations have focused on understanding the potential influences of pulsed MW irradiation on biological solutions. The current study aimed to investigate the effects of 3.5 GHz pulsed MW radiation-irradiated liquid solutions on the survival of human cancer and normal cells. Different physiological solutions such as phosphate buffer saline, deionized water, and Dulbecco's modified Eagle medium (DMEM) for cell culture growth were irradiated with pulsed MW radiation (45 shots with the energy of 1 mJ/shot). We then evaluated physiological effects such as cell viability, metabolic activity, mitochondrial membrane potential, cell cycle, and cell death in cells treated with MW-irradiated biological solutions. As MW irradiation with power density ~ 12 kW/cm2 mainly induces reactive nitrogen oxygen species in deionized water, it altered the cell cycle, membrane potential, and cell death rates in U373MG cells due to its high electric field ~ 11 kV/cm in water. Interestingly, MW-irradiated cell culture medium and phosphate-buffered saline did not alter the cellular viability and metabolic energy of cancer and normal cells without affecting the expression of genes responsible for cell death. Taken together, MW-irradiated water can alter cellular physiology noticeably, whereas irradiated media and buffered saline solutions induce negligible or irrelevant changes that do not affect cellular health.

WS2/GeSe/WS2 Bipolar Transistor-Based Chemical Sensor with Fast Response and Recovery Times.

Vertical heterostructures of transition-metal dichalcogenide semiconductors have attracted considerable attention and offer new opportunities in electronics and optoelectronics for the development of innovative and multifunctional devices. Here, we designed a novel and compact vertically stacked two-dimensional (2D) n-WS2/p-GeSe/n-WS2 van der Waals (vdW) heterojunction bipolar transistor (2D-HBT)-based chemical sensor. The performance of the 2D-HBT vdW heterostructure with different base thicknesses is investigated by two configurations, namely, common-emitter and common-base configurations. The 2D-HBT vdW heterostructure exhibited intriguing electrical characteristics of current amplification with large gains of α ≈ 1.11 and ß ≈ 20.7. In addition, 2D-HBT-based devices have been investigated as chemical sensors for the detection of NH3 and O2 gases at room temperature. The effects of different environments, such as air, vacuum, O2, and NH3, were also analyzed in dark conditions, and with a light of 633 nm wavelength, ultrahigh sensitivity and fast response and recovery times (6.55 and 16.2 ms, respectively) were observed. These unprecedented outcomes have huge potential in modern technology in the development of low-power amplifiers and gas sensors.

Pulsed high-power microwaves do not impair the functions of skin normal and cancer cells in vitro: A short-term biological evaluation.

Over the past few decades, microwave (MW) radiation has been widely used, and its biological effects have been extensively investigated. However, the effect of MW radiation on human skin biology is not well understood. We study the effects of pulsed high-power microwaves (HPMs) on melanoma (G361 and SK-Mel-31) and normal human dermal fibroblast (NHDF) cells. A pulsed power generator (Chundoong) was used to generate pulsed HPMs (dominant frequency: 3.5 GHz). For treatment 1, 5, 15, and 45 shots are given to cells in which the electromagnetic energy of 0.6 J was delivered to the cells at each trigger shot. Cell viability, proliferation rate, apoptosis, cell death, metabolic activity, and oxygen-free radical regulation were evaluated after the MW exposure at low and high doses. MW exposure increased the viabilities and proliferation rates of both melanoma cell lines in a dose-dependent manner, while no significant effects on the fibroblast cells were observed. We found an elevated level of ATP and mitochondrial activity in melanoma cells. Also, it was observed that MW exposure did not affect cell death in melanoma and fibroblast cells. A polymerase chain reaction analysis indicated that the MWs induced dose-dependent proliferation markers without affecting the cell cycle and apoptotic genes in the melanoma cells. Our findings show the differential effects of the MW radiation on the melanoma cells, compared to those on the fibroblast cells.

Tunneling-based rectification and photoresponsivity in black phosphorus/hexagonal boron nitride/rhenium diselenide van der Waals heterojunction diode.

Tunneling-based van der Waals (vdW) heterostructures composed of layered transition metal dichalcogenides (TMDs) are emerging as a unique compact system that provides new research avenues in electronics and optoelectronics. Here, we designed a black phosphorus (BP)/rhenium diselenide (ReSe2) and black phosphorus (BP)/hexagonal boron nitride (h-BN)/rhenium diselenide (ReSe2) vdW heterojunction-based diode and studied the tunneling-based different phenomena, such as rectification, negative differential resistance (NDR) and backward rectification. Further, we measured a gate-tunable and tunneling-based rectifying current in BP/ReSe2 and BP/h-BN/ReSe2 heterojunction diodes, and achieved the highest tunneling-based rectification ratio of up to (RR ≈ 3.4 × 107). The high rectifying current is explained using the Simmons-based approximation through direct tunneling (DT) and Fowler-Nordheim tunneling (FNT) in low and high bias regimes. Furthermore, we extracted the photoresponsivity (R ≈ 12 mA W-1) and external quantum efficiency (EQE ≈ 2.79%) under an illuminated laser light source of wavelength 532 nm. Finally, we demonstrated the potential application of our heterostructure devices, such as a binary inverter, rectifier and switching operation at a high frequency. Our tunneling-based heterostructure device could operate at frequencies up to the GHz range. Therefore, our findings provide a new paragon to use the TMD-based vdW heterostructure in electronic and optoelectronic applications, such as multi-valued logic.