Impact of discharge currents on the intensity of 46.9 nm capillary discharge soft X-ray laser.

In this article, capillary discharge Ne-like argon 46.9nm soft X-ray laser has been firstly manifested with 4.8mm inner diameter alumina capillary for higher discharge currents. We have designed and installed capillary discharge setup for 4.8mm inner diameter alumina capillary to achieve intense 46.9nm laser. One dimensional Langragian Magneto-hydrodynamics (MHD) code was used to simulate the plasma conditions at the lasing time. The MHD code was used to perform the parametric studies of Z-pinch argon plasma, such as electron temperature, electron density and Ne-like argon ion density. The intensities of capillary discharge 46.9nm laser emitted from 4.8mm inner diameter alumina capillary were measured at 30, 36 and 40kA main discharge currents. According to the results, when the main current amplitude was increased from 30kA to 36kA and 40kA, the intensity of laser produced at optimum pressure increased up to 1.5 and 2 times, respectively. Moreover, we also studied the influence of predischarge current by increasing the predischarge current from 25 to 250A and investigated 140A as the best predischarge current for lasing. Hence, increasing the amplitude of main current using a comparatively larger inner diameter capillary is an effective way to improve intensity of capillary discharge 46.9nm soft X-ray laser. The maximum energy of 46.9nm laser was observed approximately 1.5mJ under best discharge conditions. The discussion has been made on the enhancement of 46.9nm laser intensity for higher main discharge currents and best predischarge current with experimental and simulated results. This is the first observation of 46.9nm laser with 4.8mm inner diameter alumina capillary.

Upconversion enhancement through a facile, ultrafast, and low-threshold laser annealing strategy.

Particle size significantly affects the brightness of luminescent nanocrystals. Herein we firstly adopt a 1530 nm CW laser as the optical heating source to increase the particle size of Er3+ heavily doped nanocrystals, leading to giant enhancement of the luminescent intensity. The advantages of this method are mainly feature along the facile route, with an ultrafast process, and low threshold of the laser power density. The detailed mechanisms of the laser annealing are carefully investigated. In addition, fluorescence intensity ratio behaviours using different emission bands are comparatively investigated.

Concentration dependent optical transition probabilities in ultra-small upconversion nanocrystals.

Transition probability is of vital importance for luminescence process, whereas the effects of doping concentration have not been explored in the Er3+:NaGdF4. In this work, we investigate the radiative transition probabilities of Er3+ highly doped NaGdF4 sub 10 nm nanocrystals using J-O theory. It is found that the transition probabilities vary with changing Er3+ concentration, especially altering the ratio of Er3+ 2H11/2 to 4S3/2 level, which is highly useful for optical thermometers as they are thermally coupled. To validate the concentration dependent transition probabilities, significant enhancements of upconversion luminescence are achieved by epitaxial growth of the inert shell, and thermal sensing behaviors are investigated using the improved samples.

Rubidium zinc trioxide perovskite materials for photovoltaic solar cell applications: A first principle calculations.

Perovskite materials are the well-known of solar cell applications and have excellent characteristics to study and explain the photocatalytic research. Exchange generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof-PBE correlation functionals and density functional theory (DFT)-based Cambridge Serial Total Energy Package (CASTEP) software are used to inspect the structural, electrical, mechanical, and the optical aspects of Zinc-based cubic perovskite RbZnO3. The compound is found to be in a stable cubic phase according to our study. The predicted elastic characteristics also satisfy the mechanical criterion for stability. Pugh's criterion indicates that RbZnO3 is brittle. The examination shows that the electronic band structure, RbZnO3 possesses an indirect bandgap (BG) that has 4.23eV. Findings of BG analysis agree with currently available evidence. Total and partial density of states (DOS) are used in the confirmation of degree of a localized electrons in special band. Optical transitions in compound are evaluated by adjusting damping ratio for the appropriate peaks of the notional dielectric functions. On one hand, the material is a semiconductor at absolute zero. On the other hand, the dielectric function's fictitious element dispersion illustrates the wide range of values for energy transparency. This substance might therefore be used in a solar cell to capture ultraviolet light.

Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R[bond, double bond]K and Li) for smart window applications: A DFT study.

The human body is affected by ultraviolet radiation because it can penetrate and harm bodily cells. Although skin cancer and early aging are consequences of prolonged exposure to ultraviolet (UV) rays, sun rays signify immediate excessive exposure. In this context, some structural, optical, electrical, and mechanical properties of the beryllium-based cubic fluoro-perovskite RBeF3 (R[bond, double bond]K and Li) compounds are examined through the use of density functional theory (DFT) within generalized gradient approximation (GGA) using the Perdew-Burke-Ernzerhof (PBE) approximations (GGA-PBE). The compounds KBeF3 and LiBeF3 have space group 221-pm3m, and their lattice constants and volumes are (3.765, 3.566) Å and (53.380, 45.379) Å3, respectively, based on their structural properties. Computed results indicate that the compounds' bandgaps are 7.35 eV and 7.12 eV, respectively, with an indirect nature for KBeF3 and LiBeF3. The properties of the band structure indicate that both compounds are insulators. The bonding properties of these compounds, RBeF3, are a combination of covalent and ionic. Optical properties of the compounds are examined which reflect the light-matter interaction like reflectivity, conductivity, and absorption. These materials were likely very hard but brittle, based on a higher bulk modulus B from elastic features, the B/G ratio, Pugh's ratio, and Vickers hardness. The compound RBeF3, as determined by the findings, is used as a UV protection and reflection layer for car and room windows.

Investigation of structural, electronic, mechanical, & optical characteristics of Ra based-cubic hydrides RbRaX3 (X= F and cl) perovskite materials for solar cell applications: First principle study.

Perovskite materials are considered the gateway of various physical applications to meet the production and consumption of energy and medical fields. Density Functional Theory (DFT) becomes the most important field in the modern era to investigate perovskite materials for various physical properties. DFT nowadays is used to explore the perovskite materials for a lot of applications like photocatalytic, optoelectronic, and photovoltaics. We discussed radium based cubic hydrides RbRaX3 (while X = F & Cl) perovskite material's electrical, optical, elastic, & physical characteristics with the help of DFT-based CASTEP code with PBE exchange-correlation efficient of GGA. The RbRaF3 & RbRaCl3 have three-dimensional nature by means of space group 221 (Pm3 m). According to electronic characteristics, the direct bandgap of RbRaF3 RbRaCl3 are 3.18eV and 2.209eV, respectively. Both compounds are brittle in nature via Poisson's ratio & Pugh's criteria. Thus, our novel RbRaX3 (X = F and Cl) compounds have excellent applications for solar cell and medical areas.

Analysis of XGaO3 (X = Ba and Cs) cubic based perovskite materials for photocatalytic water splitting applications: a DFT study.

Energy conversion has become an important technology for meeting energy production and consumption in the modern era. Water splitting and solar cell technologies are projected to close the gap between demand and consumption. Therefore, XGaO3 (X = Ba and Cs) compounds having characteristics i.e., electrical, optical, mechanical, and structural are depicted by using a density functional theory (DFT) based CASTEP software with ultrasoft pseudo-potential plane-wave and Generalized Gradient Approximation and Perdew Burke Ernzerhof exchange correlation functional (GGA-PBE). According to the findings, all of these compounds have a cubic "pm3m" structure with space group 221. The CsGaO3 and BaGaO3 have direct and indirect band gaps, with respect to electronic band-structure recreations. Density of states like total density of states (TDOS) and partial density of states (PDOS) commend the extent of localization of electrons in numerous bands. The optical properties of these compounds are explored by adjusting dispersion curve/relation for theoretical dielectric function (DF) scale to the corresponding peaks. As a result, these materials could be used to consume light in the visible zone via photo catalysis. CsGaO3 in combination with BaGaO3 can produce effective results, so these compounds have a remarkable potential application for sensing and water splitting.

First-principles calculations to investigate structural, electronic, elastic and optical properties of radium based cubic fluoro-perovskite materials.

Perovskite materials play a vital role in the field of material science via experimental as well as theoretical calculations. Radium semiconductor materials are considered the backbone of medical fields. These materials are considered in high technological fields to be used as controlling the decay ability. In this study, radium-based cubic fluoro-perovskite XRaF3 (where X = Rb and Na) are calculated using a DFT (density functional theory). These compounds are cubic nature with 221 space groups that construct on CASTEP (Cambridge-serial-total-energy-package) software with ultra-soft PPPW (pseudo-potential plane-wave) and GGA (Generalized-Gradient-approximation)-PBE (Perdew-Burke-Ernzerhof) exchange-correlation functional. The structural, optical, electronic, and mechanical properties of the compounds are calculated. According to the structural properties, NaRaF3 and RbRaF3 have a direct bandgap with 3.10eV and 4.187eV of NaRaF3 and RbRaF3, respectively. Total density of states (DOS) and partial density of states (PDOS) provide confirmation to the degree of electrons localized in distinct bands. NaRaF3 material is semiconductors and RbRaF3 is insulator, according to electronic results. The imaginary element dispersion of the dielectric function reveals its wide variety of energy transparency. In both compounds, the optical transitions are examined by fitting the damping ratio for the notional dielectric function scaling to the appropriate peaks. The absorption and the conductivity of NaRaF3 compound is better than the RbRaF3 compound which make it suitable for the solar cell applications increasing the efficiency and work function. We observed that both compounds are mechanically stable with cubic structure. The criteria for the mechanical stability of compounds are also met by the estimated elastic results. These compounds have potential application in field of solar cell and medical. Objectives: The band gap, absorption and the conductivity are necessary conditions for potential applications. Here, literature was reviewed to check computational translational insight into the relationships between absorption and conductivity for solar cell and medical applications of novel RbRaF3 and NaRaF3 compounds.

Lithium-based perovskites materials for photovoltaic solar cell and protective rays window applications: a first-principle calculations.

Perovskites are the key enabler materials for the solar cell applications in the achievement of high performance and low production costs. In this article, the structural, mechanical, electronic, and optical properties of rubidium-based cubic nature perovskite LiHfO3 and LiZnO3 are investigated. These properties are investigated using density-functional theory with the aid of CASTEP software by introducing ultrasoft pseudo-potential plane-wave (USPPPW) and GG-approximation-PB-Ernzerhof exchange-correlation functionals. It is investigated that the proposed compounds exhibit stable cubic phase and meet the criteria of mechanical stability by the estimated elastic properties. Also, according to Pugh's criterion, it is noted that LiHfO3 is ductile and LiZnO3 is brittle. Furthermore, the electronic band structure investigation of LiHfO3 and LiZnO3 shows that they have indirect bandgap (BG). Moreover, the BG analysis of the proposed materials shows that these are easily accessible. Also, the results for partial density of states (DOS) and total DOS confirm the degree of a localized electron in the distinct band. In addition, the optical transitions in the compounds are examined by fitting the damping ratio for the notional dielectric functions scaling to the appropriate peaks. At absolute zero temperature, the materials are observed as semiconductors. Therefore, it is evident from the analysis that the proposed compounds are excellent candidates for solar cells and protective rays applications.

Analysis of gold nanospheres, nano ellipsoids, nanorods, and effect of core-shell structures for hyperthermia treatment.

Hyperthermia (HT) is a technique for treating malignancies by raising the temperature of the defected tissues. This technique has been used as a treatment to raise tumor area temperatures between 42 °C to 48 °C. Hyperthermia penetrates deeper malignant cells by heating the region of interest when magnetic nanoparticles (MNPs) are exposed to an externally induced magnetic field of the incident wave. In this work, numerical analysis was used to examine the temporal and spatial temperature distributions within a tumor. The temperature field was analyzed using the mass transfer and diffusion theories in the interstitial tissue. A bio-heating module in COMSOL Multi-Physics was used for different types of gold nanoparticles (AuNPs) including nanorods, nanospheres, and nano-ellipsoids with different shapes. The objective of this study is to analyze the use of AuNPs for hyperthermia. The results show that AuNPs achieve a maximum temperature for Au nanorods as compared to nano ellipsoids and nanospheres. The Au NPs achieve thermal equilibrium after 0.5 µs and are effective for hyperthermia treatment. The results describe the effect of nanoparticle shape and surface coating on thermal absorption around the nanoparticle in hyperthermia. The significance of Au NPs for hyperthermia is explained. It is expected that this study will be helpful in the future for hyperthermia treatment.

Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study.

The structural, electronic, optical, and mechanical characteristics of the cubic inorganic perovskites XZrO3 (X = Rb and K) based on Rb and K were studied using Cambridge Serial Total Energy Package (CASTEP)-based density functional theory (DFT) via the ultrasoft pseudo-potential (USP) plane wave and generalized gradient approximation (GGA)-Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. The measured lattice parameters are 3.55 Å and 4.23 Å, and the band gaps of RbZrO3 and KZrO3 are 3.57 eV and 3.78 eV, respectively. Our results indicate that the compounds have indirect and wide bandgaps, making them useful for improving conductivity. It is observed that the compounds have anisotropic, ductile, and brittle natures. The anisotropic factor values of RbZrO3 and KZrO3 are 0.67067 and 0.87224, and their Poisson's ratios are 0.27356 and 0.25853, respectively. In terms of optical properties, they exhibited high optical absorption and conductivity and were active in the visible region for solar cell applications. These results indicate that they could be highly useful for light-emitting diodes (LEDs) and other reflection purposes owing to their indirect bandgap. The results of our investigation of RbZrO3 and KZrO3 present them as favorable materials for solar cell and LED applications.

Influence of VO2 based structures and smart coatings on weather resistance for boosting the thermochromic properties of smart window applications.

Vanadium dioxide (VO2)-based energy-saving smart films or coatings aroused great interest in scientific research and industry due to the reversible crystalline structural transition of VO2 from the monoclinic to tetragonal phase around room temperature, which can induce significant changes in transmittance and reflectance in the infrared (IR) range. However, there are still some obstacles for commercial application of VO2-based films or coatings in our daily life, such as the high phase transition temperature (68 °C), low luminous transmittance, solar modulation ability, and poor environmental stability. Particularly, due to its active nature chemically, VO2 is prone to gradual oxidation, causing deterioration of optical properties during very long life span of windows. In this review, the recent progress in enhancing the thermochromic properties of VO2-hybrid materials especially based on environmental stability has been summarized for the first time in terms of structural modifications such as core-shell structures for nanoparticles and nanorods and thin-films with single layer, layer-by-layer, and sandwich-like structures due to their excellent results for improving environmental stability. Moreover, future development trends have also been presented to promote the goal of commercial production of VO2 smart coatings.

Investigation on optical temperature sensing behaviour via Ag island-enhanced luminescence doped ß-NaGdF4:Yb3+/Tm3+ films/microfibers.

In this study, silver (Ag) island modified up-conversion nano-particle (NaGdF4:Yb3+/Tm3+) thin films were prepared via electrostatic layer by layer (LBL) and spin coating techniques. The spectroscopic results indicated that adding Ag nanoparticles could significantly enhance the up-conversion emission of NaGdF4:Yb3+/Tm3+ thin films at 452 nm and 476 nm. The maximum enhancement factor of ∼15.6 was reached at 476 nm. Furthermore, we prepared microfibers from upconverting nanoparticles solution, the application of microfibers as active and passive waveguides was analyzed by observing the performance of microfibers with and without Ag under 980 nm excitation of the laser source. The fluorescence intensity ratio (FIR) method was adopted to evaluate microfiber sensitivity. The intensity-based temperature sensitivity of blue emission from a single microfiber containing up-conversion nanomaterials (NaGdF4:Yb3+/Tm3+) and Ag nanoparticles reached up to 0.018 K-1 at 310 K compared to 0.0029 K-1 in Ag-free microfiber. Our results suggest that the novel material can be used to construct new nano-thermometers, useful both in biological experiments as well as industrial research.

Correction to: Polymer Microfibers Incorporated with Silver Nanoparticles: a New Platform for Optical Sensing.

Please note that following publication of the original article [1], these three sentences have been removed from the Background section of the article.

Polymer Microfibers Incorporated with Silver Nanoparticles: a New Platform for Optical Sensing.

The enhanced sensitivity of up-conversion luminescence is imperative for the application of up-conversion nanoparticles (UCNPs). In this study, microfibers were fabricated after co-doping UCNPs with polymethylmethacrylate (PMMA) and silver (Ag) solutions. Transmission losses and sensitivities of UCNPs (tetrogonal-LiYF4:Yb3+/Er3+) in the presence and absence of Ag were investigated. Sensitivity of up-conversion luminescence with Ag (LiYF4:Yb3+/Er3+/Ag) is 0.0095 K-1 and reduced to (LiYF4:Yb3+/Er3+) 0.0065 K-1 without Ag at 303 K under laser source (980 nm). The UCNP microfibers with Ag showed lower transmission losses and higher sensitivity than without Ag and could serve as promising candidate for optical applications. This is the first observation of Ag-doped microfiber via facile method.

Efficient nanoheater operated in a biological window for photo-hyperthermia therapy.

Remotely monitoring and regulating temperature in a small area are of vital importance for hyperthermia therapy. Herein, we report ~11 nm NaErF4 nanocrystal as the ultra-small nanoheater, which is highly safe for biological applications. Under 1530 nm photon excitation, upconversion intensity of NaErF4 is significantly enhanced as compared to the conventionally used 980 nm pumping source. Upconversion mechanisms are discussed on the basis of power dependence measurements. Importantly, light-to-heat transformation efficiency of NaErF4 through 1530 nm pumping is determined as high as 75%. Efficient NIR emission, centered at ~800 nm and thus within the biological window, is used for the temperature feedback. The potential applications of this highly efficient nanoheater for controlled photo-hyperthermia treatments are also demonstrated.

Dispersing upconversion nanocrystals in PMMA microfiber: a novel methodology for temperature sensing.

This paper reports the synthesis of a ß-NaYF4:Yb3+/Tm3+ phosphor by a thermal decomposition method and focuses on the fabrication of microfibers by the co-doping of nanocrystals with PMMA solution via a facile drawing method. The structural characteristics of the nanocrystals are studied by XRD and TEM techniques. Meanwhile, the optical properties of the microfibers are probed by wave guiding performance and upconversion spectroscopy. With the excitation of a 980 nm laser source, the microfiber presented blue upconversion emission of Tm3+ ions. The fluorescence intensity ratio (FIR) method is utilized for the non-thermally coupling transition (1D2 → 3F4 (452 nm) and 1G4 → 3H6 (476 nm)) levels to carry out the optical thermometry. The maximum sensitivity is recorded at 298 K and is 0.00157 K-1. The results suggest that the microfibers have potential applications in thermometry with high sensitivity.