$$\hbox {SiO}_{2}\hbox {/TiO}_{2}$$ multi-layered thin films with self-cleaning and enhanced optical properties

Self-cleaning, high transmittance glazing was obtained by cold spray deposition for glazings. The thin films contain \(\hbox {TiO}_{2}\), \(\hbox {SiO}_{2}\) and Au nanoparticles in different structures which allow for tailoring the optical, hydrophilic and photocatalytic properties. The crystallinity, morphology and surface energy were correlated with the optical transmittance and reflectance; the transmittance increased from 89.45 (for the glass substrate) to 91.76% when Au nanoparticles were used in the tandem layered structures. The samples containing alternating multi-layered \(\hbox {SiO}_{2}\) and \(\hbox {TiO}_{2}\) thin films without gold nanoparticles show hydrophilic surface; for these layers, the photocatalytic efficiency reaches 40% under simulated solar radiation. A conditioning effect based on adsorption was observed to increase the photocatalytic efficiency. These highly transparent coatings are well suited for glazings and fenestration, showing the self-cleaning effect based on combined superhydrophilicity and photocatalysis.     

Superconducting epitaxial $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }$$ on $$\hbox {SrTiO}_{3}$$SrTiO3-buffered Si(001)

Thin films of optimally doped(001)-oriented \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\updelta }\) are epitaxially integrated on silicon(001) through growth on a single crystalline \(\hbox {SrTiO}_{3}\) buffer. The former is grown using pulsed-laser deposition and the latter is grown on Si using oxide molecular beam epitaxy. The single crystal nature of the \(\hbox {SrTiO}_{3}\) buffer enables high quality \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\updelta }\) films exhibiting high transition temperatures to be integrated on Si. For a 30-nm thick \(\hbox {SrTiO}_{3}\) buffer, 50-nm thick \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\updelta }\) films that exhibit a transition temperature of \(\sim \)93 K, and a narrow transition width (<5 K) are achieved. The integration of single crystalline \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\updelta }\) on Si(001) paves the way for the potential exploration of cuprate materials in a variety of applications.     

Microwave hydrothermal synthesis and upconversion luminescence properties of $$\hbox {Yb}^{3+}$$/$$\hbox {Tm}^{3+}$$Tm3+ co-doped $$\hbox {NaY}(\hbox {MoO}_{4})_{2}$$NaY(MoO4)2 phosphor

Tetragonal \(\text {NaY}(\text {MoO}_{4})_{2}\) (NYM) phosphors co-doped with \(\hbox {Yb}^{3+}\) and \(\hbox {Tm}^{3+}\) ions were synthesized through microwave hydrothermal method followed by calcining treatment. Powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy and photoluminescence spectra were used to characterize the properties of as-prepared samples. The results show that \(\hbox {Yb}^{3+}\)/\(\hbox {Tm}^{3+}\) co-doped NYM displayed bright blue emission near 472 and 476 nm (\(^{1}\hbox {G}_{4}\rightarrow {}^{3}\hbox {H}_{6}\) transition), strong near-infrared upconversion (UC) emission around 795 nm (\(^{3}\hbox {H}_{4}\rightarrow {}^{3}\hbox {H}_{6}\) transition). The optimum doping concentrations of \(\hbox {Yb}^{3+}\) and \(\hbox {Tm}^{3+}\) for the most intense UC luminescence were obtained, and the related UC mechanism of \(\hbox {Yb}^{3+}\)/\(\hbox {Tm}^{3+}\) co-doped NYM depending on pump power was studied in detail.     

Correlations for the Dielectric Constants of $$\hbox {H}_{2}\hbox {S}$$, $$\hbox {SO}_{2}$$SO2, and $$\hbox {SF}_{6}$$SF6

A new method is developed for correlating the static dielectric constant of polar fluids over wide ranges of conditions where few experimental data exist. Molecular dynamics simulations are used to establish the temperature and density dependence of the Kirkwood g-factor, and also the functional form for the increase of the effective dipole moment with density. Most parameters in the model are obtained entirely from simulation; a single proportionality constant is adjusted to obtain agreement with the limited experimental data. The method is applied to hydrogen sulfide (\(\hbox {H}_{2}\hbox {S}\)) and sulfur dioxide \((\hbox {SO}_{2})\), both of which are important in geochemistry but have only a few dielectric data available. The resulting correlations agree well with the available liquid data, obey physical boundary conditions at low density and at high temperature, and interpolate in density and temperature in a physically reasonable manner. In addition, we present a more conventional correlation for the dielectric constant of sulfur hexafluoride, \(\hbox {SF}_{6}\), where more data are available.     

$$\hbox {RuO}_{2}$$ Non-isothermal Thermometry

The use of a \(\hbox {RuO}_{2}\) resistor in non-isothermal measuring setup is proposed. A calculation is presented to explain the principle for a resistor obeying variable-range-hopping theory and the results are compared to measurements in the range of 11.2–30 mK for a commercial resistor. The thermometer, which measures the electron temperature, does not show overheating effects at 11.2 mK with a measuring power of \(10^{-12}\) W.     

Radiative Properties of Ceramic $$\hbox {Al}_{2}\hbox {O}_{3}$$, AlN,and $$\hbox {Si}_{3}\hbox {N}_{4}$$Si3N4: I. Experiments

The radiative properties of dense ceramic \(\hbox {Al}_{2}\hbox {O}_{3}\), AlN, and \(\hbox {Si}_{3}\hbox {N}_{4}\) plates are investigated from the visible to the mid-infrared region at room temperature. Each specimen has different surface finishings on different sides of the laminate. A monochromator was used with an integrating sphere to measure the directional-hemispherical reflectance and transmittance of these samples at wavelengths from 0.4 \(\upmu \hbox {m}\) to 1.8 \(\upmu \hbox {m}\). The specular reflectance was obtained by a subtraction technique. A Fourier-transform infrared spectrometer was used to measure the directional-hemispherical or specular reflectance and transmittance with appropriate accessories from about 1.6 \(\upmu \hbox {m}\) to 19 \(\upmu \hbox {m}\). All measurements were performed at near-normal incidence on either the smooth side or the rough side of the sample. The experimental observations are qualitatively interpreted considering the optical constants, surface roughness, and volume scattering and absorption.     

Characterization and optical properties of $$\hbox {Pr}_{2}\hbox {O}_{3}$$-doped molybdenum lead-borate glasses

\(\hbox {Pr}^{3+}\) doped molybdenum lead-borate glasses with the chemical composition 75PbO?[25–(x \(+\) y)\(\hbox {B}_{2}\hbox {O}_{3}]\)–\(y\hbox {MoO}_{3}\)–\(x\hbox {Pr}_{2}\hbox {O}_{3}\) (where \(x = 0.5\) and 1.0 mol% and \(y = 0\) and 5 mol%) were prepared by conventional melt-quenching technique. Thermal, optical and structural analyses are carried out using DSC, UV and FTIR spectra. The physical parameters, like glass transition \((T_{\mathrm{g}})\), stability factor \((\Delta T)\), optical energy band gap \((E_{\mathrm{gopt}})\), of these glasses have been determined as a function of dopant concentration. The \({T}_{\mathrm{g}}\) and optical energy gaps of these glasses were found to be in the range of 290–350\({^{\circ }}\hbox {C}\) and 2.45–2.7 eV, respectively. Stability of the glass doped with \(\hbox {Pr}^{3+}\) is found to be moderate (\(\sim \)40). The results are discussed using the structural model of Mo–lead-borate glass.     

Inhomogeneous Superconducting Behaviour in $$\hbox {La}_{5}\hbox {Ni}_{2}\hbox {Si}_{3}$$

The superconducting phase transition at \(T_\mathrm{c} = 2.3\) K was observed for the electrical resistivity \(\rho ({T})\) and magnetic susceptibility \(\chi (T)\) measurements in the ternary compound La\(_{5}\hbox {Ni}_{2}\hbox {Si}_{3}\) that crystallizes in the hexagonal-type structure. Although a single-phase character with the nominal stoichiometry of the synthesized sample was confirmed, a small trace of the La–Ni phase was found, being probably responsible for the superconducting behaviour in the investigated compound. The magnetization loop recorded at \({T} = 0.5\) K resembles a star-like shape which indicates that the density of the critical current can be strongly suppressed by a magnetic field. The low-\(T _{\rho }(T)\) and specific heat \({C}_\mathrm{p}({T})\) data in the normal state reveal simple metallic behaviour. No clear evidence of a phase transition to any long- or short-range order was found for \(C_\mathrm{p}(T)\) measurements in the T-range of 0.4–300 K.     

High-pressure studies of superconductivity in $$\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}$$

\(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\) crystallizes in tetragonal CeOBiS\(_{2}\) structure (S. G. P4/nmm). We have investigated the effect of pressure on magnetization measurements. Our studies suggest improved superconducting properties in polycrystalline samples of \(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\). The \(T_{\mathrm{c}}\) in our sample is 5.3 K, at ambient pressure, which is marginal but definite enhancement over \(T_{\mathrm{c}}\) reported earlier (= 5.1 K). The upper critical field \(H_{\mathrm{c}2}\)(0) is greater than 3 T, which is higher than earlier report on this material. As determined from the M–H curve, both \(H_{\mathrm{c}2}\) and \(H_{\mathrm{c}1}\) decrease under external pressure P (0 \(\le P \le \) 1 GPa). We observe a decrease in critical current density and transition temperature on applying pressure in \(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\).     

Distribution of relaxation times investigation of $$\hbox {Co}^{3+}$$ doping lithium-rich cathode material $$\hbox {Li}[\hbox {Li}_{0.2} \hbox {Ni}_{0.1} \hbox {Mn}_{0.5} \hbox {Co}_{0.2}]\hbox {O}_{2}$$Li[Li0.2Ni0.1Mn0.5Co0.2]O2

The element \(\hbox {Co}^{3+}\) was introduced into lithium-rich material \(0.5\hbox {Li}_{2}\hbox {MnO}_{3} \cdot 0.5 \hbox {LiNi}_{0.5}\hbox {Mn}_{0.5}\hbox {O}_{2}\) by a polyacrylamide-assisted sol–gel method to form \(\hbox {Li}[\hbox {Li}_{0.2} \hbox {Ni}_{0.1} \hbox {Mn}_{0.5} \hbox {Co}_{0.2}]\hbox {O}_{2}\) and better electro-chemical performances were observed. Electrochemical impedance spectroscopy spectra were measured on 11 specific open circuit voltage levels on the initial charge profile. Then they were converted to the distribution of relaxation times (DRTs) g(\(\tau \)) by self-consistent Tikhonov regularization method. The obtained DRTs offered a higher resolution in the frequency domain and provided the number and the physical origins of loss processes clearly. Through the analysis of DRTs, the rapid augmentation of resistance to electronic conduction and charge transfer within the voltage range 4.46–4.7 V where the removal of \(\hbox {Li}_{2}\hbox {O}\) from \(\hbox {Li}_{2} \hbox {MnO}_{3}\) component took place was the most remarkable phenomenon and the \(\hbox {Co}^{3+}\) doping greatly reduced the resistance to electronic conduction Re. This gave us more evidence about the complicated ‘structurally integrated’ composite character of the material.     

Structural,microstructural and optical properties of $$\hbox {Cu}_{2}\hbox {ZnSnS}_{4}$$ thin films prepared by thermal evaporation: effect of substrate temperature and annealing

Thin films of \(\hbox {Cu}_{2}\hbox {ZnSnS}_{4}\) (CZTS), a promising solar cell absorber, were grown by thermal evaporation of ZnS, Sn and Cu precursors and subsequent annealing in sulphur atmosphere. Two aspects are chosen for investigation: (i) the effect of substrate temperature (\(T_{\mathrm{S}})\) used for the deposition of precursors and (ii) (\(\hbox {N}_{2}{+}\hbox {S}_{2})\) pressure during annealing, to study their impact on the growth of CZTS films. X-ray diffraction analysis of these films revealed the structure to be kesterite with (112) preferred orientation. Crystallite size is found to slightly increase with increase in \(T_{\mathrm{S}}\) as well as pressure during annealing. From optical absorption studies, the direct optical band gap of CZTS films is found to be \({\sim }\)1.45 eV. Room temperature electrical resistivity of the films obtained on annealing the stacks at 10 and 100 mbar pressures is found to be in the ranges 25–55 and 5–25 \(\Omega \) cm, respectively, depending on \(T_{\mathrm{S}}\). Films prepared by annealing the stack deposited at 300\({^{\circ }}\)C under 100 mbar pressure for 90 min are slightly Cu-poor and Zn-rich with compact grain morphology.     

Thermal Emittance of $$\hbox {La}_{0.7}\hbox {Ca}_{0.3-x}\hbox {K}_x\hbox {MnO}_3$$ Coatings on Aluminum Substrate

A novel thermal control coating was presented based on the thermochromism of manganite. The pigment of K-doped manganite nanoparticles was dispersed into polymer matrix to prepare the coating with curing below 200 \(^{\circ }\)C. The nanoparticles size mainly distributes around 100–200 nm, and it shows a comparable stoichiometric ratio. The phase transition of the nanoparticles was observed from ferromagnetic metallic to paramagnetic insulator state. With increasing K doping level, the phase transition temperature increases, achieving controllable adjustment. Coating surface with and without pore defect was obtained by different polymer matrix. A sharp emittance variation was observed with increasing temperature in K-doped coating. The variation magnitude of emittance is up to 0.46, which is attractive to space thermal control. It is suggested that the pigment content of 50 wt% is sufficient to realize a large emittance variation.     

Effect of annealing treatment on optical properties and microstructural variation of $$\hbox {WO}_{3}/\hbox {Ag}/\hbox {WO}_{3}$$ multilayer nano-films

Structural and optical properties of \(\text {WO}_{3}/\text {Ag}/\text {WO}_{3}\) nano-multilayer composites were investigated for heat mirror applications. \(\text {WO}_{3}/\text {Ag}/\text {WO}_{3}\) thin films were fabricated through a physical vapour deposition method by using electron-beam evaporation at the vacuum chamber at 10\(^{-5}\) Torr. \(\text {WO}_{3}\) nano-layer was fabricated at 40 nm. Annealing treatment was carried out at 100, 200, 300 and 400\(^{\circ }\)C for 1 h after the deposition of first layer of \(\text {WO}_{3}\) on the glass. On \(\text {WO}_{3}\) film, Ag nano-layers with 10, 12 or 14 nm thickness were deposited. Individual layers morphology was investigated using atomic force microscopy (AFM) and deduced that a smoother layer can be achieved after the annealing at 300\(^{\circ }\)C. Ellipsometry analysis was executed to determine both layers, Ag film thickness and inter-diffusion between the \(\text {WO}_{3}\)–Ag–\(\text {WO}_{3}\) layers. It was inferred that there was almost no interfering among the \(\text {WO}_{3}\)–\(\text {WO}_{3 }\) layers in the samples with 12 and 14 nm Ag thickness; while silver was deposited on the annealed \(\text {WO}_{3}\) layer at 300\(^{\circ }\)C. UV–visible spectrophotometer showed that the annealing treatment of the first \(\text {WO}_{3}\) layer enhanced the transparency of films in the visible region. The innovations of the present study have been based on the annealing of the films and finding an optimum thickness for the Ag film at 12–14 nm. Heat mirrors efficiency was assessed according to the principle of their optical behaviour and optimum performance obtained for 14 nm of Ag film, deposited on annealed tungsten oxide at 300\(^{\circ }\)C.     

Molecular Dynamics Study of Surface Anisotropy in $$\hbox {Ag}_{60}\; \hbox {Cu}_{40}$$ Alloy at Nanoscale

In the present study, molecular dynamics simulation has been performed to investigate the anisotropic behavior of free standing \(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\) nanorods. We choose different orientations with various cross sections to study the dynamics of thermal behavior of \(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\) nanorods. The system is modeled using embedded atom method potentials. The radial distribution functions are analyzed to reveal the dynamic evolution of the structural behavior of nanorods with different orientations and sample sizes. The total energy and mean square displacement is also calculated to characterize the melting phenomenon of various samples. The melting temperature of the nanorods is found to be significantly size and orientation dependent, and it increases with the increase in cross-sectional area. The nanorods with low-index crystallographic surfaces such as (110) exhibit lowest melting temperature as compared to compact surfaces (111).     

Ga doping induced structural and optical modification in $$\hbox {Ge}_{2}\hbox {Sb}_{2}\hbox {Te}_{5}$$ Ge 2 Sb 2 Te 5 thin films

\(\text {Ge}_2\text {Sb}_2\text {Te}_5\) (GST) is considered a promising candidate for next-generation data storage devices due to its unique property of non-volatility and low power consumption. In present work, the bulk alloys and thin films of (\(\text {Ge}_2\text {Sb}_2\text {Te}_5\))\(_{100-x}\text {Ga}_x\) (x = 0, 3, and 10) are prepared using melt quenching and thermal deposition method, respectively. The effect of Ga doping on host composition is investigated by analyzing X-ray diffraction patterns and field emission scanning electron microscope images. From obtained results, it is found that all doped thin films retained the amorphous nature and exhibited uniform and smooth morphology. In Raman spectra, the appearance of a new peak in 10% Ga-doped GST thin film indicated an alteration in the atomic arrangement of host lattice. Transmission spectra revealed the highly transparent nature of all deposited thin films in the near-infrared region. The optical band gap of Ga-doped GST thin film is lower than that of the pure GST thin film which can be correlated with an increase in band tailing, attributed to an increase in localized defect states in the band gap. Due to the pronounced electronegativity difference between the Ga and Te element, new Ga–Te bonds with a higher number of wrong bonds (Ge–Ge, Sb–Sb, and Ge–Sb) are expected to thermally stabilize the amorphous phase. Such results predict the better performance of Ga-doped GST composition for better performance of phase-change random access memory.

     

Structures and electronic properties of $$\hbox {W}_{m}\hbox {Cu}_{n}\,(n + m \le 7)$$ clusters

Geometric and electronic structures of \(\hbox {W}_{m}\hbox {Cu}_{n}\, (m + n \le 7)\) cluster have been systematically calculated by density functional theory at the generalized gradient approximation level for ground-state structures. \(\hbox {W}_{m}\hbox {Cu}_{n}\) clusters with \(n = 1, 3, 5\) tend to form bipyramid structures, whereas \(\hbox {WCu}_{n}\) favour planar shapes except for \(\hbox {WCu}_{5}\). The configurations of \(\hbox {W}_{m}\hbox {Cu}_{n}\) clusters are more sensitive to the Cu atoms than the W atoms, while the average atomic binding energies and the total magnetic moments are determined by W atoms. The calculated second-order differences in energies and HOMO–LOMO energy gaps show pronounced odd–even oscillating behaviours. From the Mulliken electron population analysis, we found that Cu 4p and W 6p orbitals exhibit electronic charges and both Cu 4s and W 6s orbitals transfer electronic charges to the W 5d orbital, which lead to the extension of W–Cu bond lengths.     

Effect of Hafnium Impurities on the Magnetoresistance of $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }$$

In the present study, we investigate the influence of the hafnium (Hf) impurities on the magnetoresistance of \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }\) ceramic samples in the temperature interval of the transition to the superconducting state in constant magnetic field up to 12 T. The cause of the appearance of low- temperature “tails” (paracoherent transitions) on the resistive transitions, corresponding to different phase regimes of the vortex matter state is discussed. At temperatures higher than the critical temperature (T > \(T_\mathrm{c})\), the temperature dependence of the excess paraconductivity can be described within the Aslamazov–Larkin theoretical model of the fluctuation conductivity for layered superconductors.     

Fabrication and enhanced photoluminescence properties of $$\hbox {NaLa}(\hbox {MoO}_{4})_{2}$$: $$\hbox {Sm}^{3+}$$Sm3+, $$\hbox {Bi}^{3+}$$Bi3+ phosphors with high efficiency white-light-emitting

The tetragonal scheelite-type \(\hbox {Sm}^{3+}\hbox {/Bi}^{3+}\) ions co-doped with \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\) phosphors were synthesized by a facile sol–gel and combustion process using citric acid as complexing agent. The crystal structure and morphology of these as-prepared samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Furthermore, UV-absorption and the photoluminescence (PL) properties of these phosphors were systematically investigated and the PL of the phosphors shows strong white light emissions. Efficient energy transfer from the \(\hbox {MoO}_{4}^{2-}\) group or \(\hbox {Bi}^{3+}\) ions to \(\hbox {Sm}^{3+}\) ions was established by PL investigation excited at 405 nm. The PL intensity of the studied materials was investigated as a function of different \(\hbox {Sm}^{3+}\) and \(\hbox {Bi}^{3+}\) concentrations. The PL investigations revealed that the phosphors exhibit apparent characteristic emissions, which is ascribed to the transition from the ground state energy level \(^{4}\hbox {G}_{5/2}\) to excited state energy levels \(^{6}\hbox {H}_{\mathrm{J}}\) (\(J= 5/2, 7/2, 9/2\)) and the \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\) and \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\), 8 mol% \(\hbox {Bi}^{3+}\) present white emissions with the CIE coordinates of (0.350, 0.285) and (0.285, 0.229), respectively. The absolute quantum efficiencies of the phosphors are 40% (\(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\)) and 52% (\(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\), 8 mol% \(\hbox {Bi}^{3+}\)), respectively.     

Electro-optical properties,decomposition pathways and the hydrostatic pressure-dependent behaviours of a double-cation hydrogen storage material of $$\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}$$

Electro-optical properties, the decomposition pathways and the pressure-dependent behaviours of \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) have been investigated using a first-principle plane-wave pseudopotential method. \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) is a kind of double-cation borohydride, consisting of distorted tetrahedral anions \([\hbox {Al}(\hbox {BH}_{4})_{4}]^{-}\) and cations \([\hbox {Li}_{4}(\hbox {BH}_{4})]^{3+}\), which obeys the stability criteria of decomposition reactions. Herein, two possible decomposition reactions of the compound are proposed, which release 18 hydrogen molecules (about 12.03 wt%) in the first reaction and 24 hydrogen molecules (about 16.04 wt%) in the second reaction. On increasing the pressure on the structure, the lattice parameter, the volume of unit cell, the quasiparticle band gap and also enthalpy of the system decrease nearly monotonically; therefore, the acceptor levels gradually get filled and the Fermi level shifts upward. Results of computational investigations of the structural, electronic and thermodynamic parameters and their pressure-dependent behaviours indicate that \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) has intriguing properties. Therefore, it would be a very promising material for hydrogen storage technology.