Phase Stability and Electronic Structure of Tin Sulfide Compounds for Li-ion Batteries
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Pairwise semi-hydrogenation of alkyne to cis -alkene on platinum-tin intermetallic compounds
Intermetallic PtSn nanoparticles leads to pairwise-hydrogenation of alkynes to the corresponding cis -alkenes, satisfying both high stereoselectivity and high chemoselectivity.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization
A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Deformation Mechanisms and Formability Window for As-Cast Mg-6Al-2Ca-1Sn-0.3Sr Alloy (MRI 230D)
The hot deformation characteristics of MRI 230D alloy have been evaluated in the temperature range 260-500 °C and strain rate range 0.0003-10 s{sup −1}, on the basis of processing map. The processing map exhibited two domains in the ranges: (1) 300-370 °C and 0.0003-0.001 s{sup −1} and (2) 370-480 °C and 0.0003-0.1 s{sup −1}. Dynamic recrystallization occurs in the both domains with basal slip dominating in the first domain along with climb as recovery process and second-order pyramidal slip dominating in the second with the recovery by cross-slip. In Domains (1) and (2), the apparent activation energy values estimated using the kinetic rate equation are 143 and 206 kJ/mole, respectively, the first one being close to that for lattice self-diffusion confirming climb. It is recommended that the alloy is best processed at 450 °C and strain rates less than 0.1 s{sup −1}, where non-basal slip and cross-slip occur extensively to impart excellent workability. The alloy exhibits flow instability in the form of adiabatic shear band formation and flow localization at lower temperatures and higher strain rates. Forging of a cup-shaped component was performed under various conditions, and the results validated the predictions of the processing map on the workability domains as well as the instability regimes.
36 MATERIALS SCIENCE↗
Investigation of structural and electrochemical properties of LaSrCo{sub 1−x}Sb{sub x}O{sub 4} (0≤x≤0.20) as potential cathode materials in intermediate-temperature solid oxide fuel cells
The structural and electrochemical properties of the layered perovskite oxides LaSrCo{sub 1−x}Sb{sub x}O{sub 4} (0≤x≤0.20) were investigated to study the effects of substituting Sb for Co for application as cathode materials in intermediate temperature solid oxide fuel cells (IT-SOFCs). The results of crystal structure analyses show the maximum content of Sb in LaSrCo{sub 1−x}Sb{sub x}O{sub 4} to be 0.05 as a pure single phase. XPS shows that Co and Sb in LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} may possess mixed-oxidation states. The electrical conductivity increased greatly after Sb substitution. An improvement in the cathode polarization (R{sub p}) values is observed from the Sb-doped sample with respect to the undoped samples. For example, R{sub p} of LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} on LSGM was observed to be 0.16 Ω cm{sup 2} at 800 °C in air. The main rate-limiting step for LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} cathode is charge transfer of oxygen atoms. These results indicate that Sb can be incorporated into LaSrCo{sub 1−x}Sb{sub x}O{sub 4} based materials and can have a beneficial effect on the performance, making them potentially suitable for use as cathode materials in IT-SOFCs. - Graphical abstract: The oxygen partial pressure dependence of polarization resistances for a new layered perovskite cathode LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} at various temperatures was measured. - Highlights: • The maximum content of Sb was 0.05 mol in LaSrCo{sub 1−x}Sb{sub x}O{sub 4}. • The maximum electrical conductivity is 194 S cm{sup −1}for LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} at 800 °C. • A rate-limiting process of charge transfer presented.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The Evolution of the Weld Metal Microstructures in Dissimilar Titanium Welds Based on Al and Mo Equivalents
CO{sub 2} laser welding of Ti-15V-3Cr-3Al-3Sn to Ti-4.5Al-3V-2Fe-2Mo was conducted in the study. The notched fracture and microstructures of the weld metal (WM) with various post-weld aging treatments were studied. In the as-welded sample, the WM comprised only β phase, which was relatively soft and ductile. Moreover, the phase constituent of the as-welded WM was related to the Al and Mo equivalents and further compared with other welds. The microstructural morphologies and microhardness of the WMs of dissimilar welds exhibited significant changes after post-weld aging at distinct temperatures. Increasing the Al equivalent ([Al]{sub EQ}) of the WM caused an increased response to age-hardening during post-weld aging treatments. When the aging temperature was increased from 426 to 593 °C, the α precipitates in the WM grew in size, causing a decrease in hardness, but an improvement in toughness.
36 MATERIALS SCIENCE↗
Wetting and Interfacial Reactivity of Zn-Coated Steel Products with Cu-Si, Cu-Sn and Al-Si Filler Metals for Laser Brazing Application
The laser brazing process is successfully applied in automotive industry for joining of roofs and hatchbacks of vehicles. The bad wetting of the brazing alloy during the process can lead to the formation of random external porosities which are not allowed on visible parts. This paper describes the wettability and reactivity mechanisms at short contact time of Cu and Al matrix brazing alloys with different reactive elements (Si, Sn) on different steel products such as hot-dip galvanized steels, galvannealed steel and bare steel. Wetting experiments were carried out by the dispensed drop technique. The effects of alloying elements and brazing alloy matrix on interfacial reactivity are discussed. It was found that Cu matrix containing 3 wt.% Si is the most favorable for short time liquid/solid adhesion relatively to the other studied brazing alloy compositions. The brazing ability of different steel products is well correlated with the wettability and interfacial reactivity results.
36 MATERIALS SCIENCE↗
An Ellipsometric Investigation of the Optical Properties of Ru{sub 2}Ge{sub 3} and Ru{sub 2}Sn{sub 3} Compounds
Ellipsometric investigations of the optical properties of Ru{sub 2}Ge{sub 3} and Ru{sub 2}Sn{sub 3} intermetallic compounds are carried out in the wavelength range from 0.22 to 15 μm. The nature of interband light absorption is analyzed based on a comparative analysis of the experimental and theoretical frequency dependences of an optical conductivity. The obtained results confirm the existence of energy gaps at the Fermi level in the electronic spectra of these materials predicted earlier by the band-structure calculations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Realization of Magnetostructural Transition and Magnetocaloric Properties of Ni–Mn–Mo–Sn Heusler Alloys
As magnetic cooling refrigerant, Ni–Mn–Sn Heusler alloys have gained significant potentials for a wide range of practical applications as compared with other expensive Ga-doped Ni–Mn based Heusler alloys, toxic As and P doped Mn-based alloys and rare-earth elements like Gd-based alloys. Consequently, an inclusive investigation on magnetostructural transition and magnetocaloric features of Ni{sub 43}Mn{sub 47−x}Mo{sub x}Sn{sub 10} alloys is carried out. The alloys are assembled through arc-melting technique and their X-ray diffraction analysis confirms their B{sub 2}-type crystal structure at room temperature. As the Mo contents are increased, the magnetostructural transition temperature increases for a temperature range between Curie temperature of austenite and martensite phases. Obvious metamagnetic behavior and magnetic hysteresis are observed in isothermal magnetization curves, suggesting that the temperature and magnetic field can be used as robust tools for tuning the structural transformation in Heusler alloys. The noticeable magnetocaloric effect suggests that the prepared alloys can be an attractive choice for magnetic refrigeration applications.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
First-Principles Calculations to Investigate the Structural, Electronic, and Half-Metallic Properties of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} (x = 0, 0.25, 0.5, 0.75, and 1) Quaternary Heusler Alloys
The structural, electronic, and magnetic properties of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} (x = 0, 0.25, 0.5, 0.75, and 1) quaternary Heusler alloys have been investigated using first-principles density functional theory within generalized gradient approximation (GGA) and local spin-density approximation with Hubbard-U corrections (LSDA+U). The calculations have been performed using the full-potential linearized augmented Plane wave plus local orbitals method. The crystal structures of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} were found to be cubic in (F-43m) symmetry for x = 0, 1 and cubic in (P-43m) symmetry for x = 0.25, 0.75, while tetragonal in (P-4m2) symmetry for x = 0.5. The results show that all Ti{sub 2}RhSn1-xSix, Ti{sub 2}RhGe{sub 0.75}Si{sub 0.25}, and Ti{sub 2}RhGe alloys are half-metallic ferrimagnetic. These new materials are good candidates for potential applications in spintronic.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Multi-scale and multi-technic microstructure analysis of a linear friction weld of the metastable-β titanium alloy Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti17) towards a new Post-Weld Heat Treatment
Highlights: • Soft joint showing sharp macro-zones and marked by asymmetrical process effects • Gradient of thermomechanical loads identified through progressive stages of transformation • Highly textured recrystallized β grains at the joint core with distorted β lattice • Lattices, phase fractions, microstructures and hardness homogenized after heat treatment - Abstract: Linear Friction Welding (LFW) is a solid-state joining process producing narrow joints mainly developed for the aircraft industry. The Thermo-Mechanical Processing (TMP) loads imposed on the material cause complex microstructure transformations. This study aimed at characterizing the local microstructures and crystallographic configurations to identify the mechanisms impacting the stability and the mechanical properties of a Ti17 LFW joint with the objective of establishing an innovative homogenizing Post-Weld Heat Treatment (PWHT). The process caused a narrow zone of ±2 mm from the friction interface to reach the isothermal α → β transformation temperature under a heating rate of 500 K/s followed by quenching (−100 K/s). The TMP resulted in the formation a ±3 mm wide soft Process Affected Zone (PAZ) delimited by three characteristic zones: the Welding Line (WL width ≈ 400 μm), The Thermo-Mechanically Affected Zone (TMAZ width ≈ 1 mm) and the Heat Affected Zone (HAZ). β TMP resulted in the total dissolution of the α phase in the joint core (WL + TMAZ) and formed strongly textured {110}<111> β recrystallized grains in the WL by continuous dynamic recrystallization of squeezed prior-β grains in the TMAZ. α + β TMP led to a gradual loss of hardness in the HAZ whose microstructure is similar to the one of the base material (BM) but is subject to gradual α laths dissolution due to the local temperatures experienced during LFW. A PWHT consisting in a β annealing followed by an α + β ageing resulted in a uniformly hardened weld with a homogenized Widmanstätten microstructure in the whole assembly.
36 MATERIALS SCIENCE↗
Optical second harmonic generation and its photoinduced dynamics in ferroelectric semiconductor Sn{sub 2}P{sub 2}S{sub 6}
By means of optical pump–probe technique, the ultrafast dynamics of nonlinear optical response of the ferroelectric semiconductor Sn{sub 2}P{sub 2}S{sub 6} crystal excited with a femtosecond laser pulse has been investigated. It has been shown that, under the action of femtosecond pulses, change in optical second harmonic generation occurs in the sample, which can be due to screening of existing electric polarization.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Electronic and Spectral Properties of RRhSn (R = Gd, Tb) Intermetallic Compounds
The investigations of electronic structure and optical properties of GdRhSn and TbRhSn were carried out. The calculations of band spectrum, taking into account the spin polarization, were performed in a local electron density approximation with a correction for strong correlation effects in 4f shell of rare earth metal (LSDA + U method). The optical studies were done by ellipsometry in a wide range of wavelengths, and the set of spectral and electronic characteristics was determined. It was shown that optical absorption in a region of interband transitions has a satisfactory explanation within a scope of calculations of density of electronic states carried out.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Half-Metallic Ferrimagnetism in CoFeNbZ (Z = Al, Si, Ge, Sn) Quaternary Heusler Alloys: a DFT Study
First principles calculations based on density functional theory is used to study the structural, electronic, and magnetic properties of novel CoFeNbZ (Z = Al, Si, Ge, Sn) quaternary Heusler alloys with the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation effects are treated using generalized gradient approximation (GGA) to study the structural properties. With GGA as the exchange-correlation potential, CoFeNbAl and CoFeNbSn are half-metallic with 100% spin polarization, whereas CoFeNbSi and CoFeNbGe are nearly half-metallic with high spin polarization of 90.06 and 98.28% respectively. For CoFeNbAl and CoFeNbSn, the spin-flip gap increases with the use of modified Becke-Johnson potential. Using this approximation, CoFeNbGe is a half-metal with a spin-flip gap of 0.303 eV. The magnetic properties indicate that all the compounds follow the M{sub t} = Z{sub t} - 24 Slater-Pauling rule. The half-metallic behavior is maintained over a relatively wide range of lattice constants against hydrostatic strain. The transport properties of half-metallic CoFeNbZ (Z = Al, Ge, Sn) compounds are reported. Our present work has the potential to trigger the design of quaternary Heusler alloys with applications in spintronic devices.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effects of Isothermal Aging on the Thermal Expansion of Several Sn-Based Lead-Free Solder Alloys
In this paper, effects of high-temperature aging on the thermal expansion behavior of several lead-free alloys SAC305, SAC387, Sn-3.5Ag, SnCu, SN100C (SnCu-Ni-Ge) and SnCu-0.01Ge have been explored. The coefficients of thermal expansion (CTEs) of the alloys have been experimentally determined over the temperature range 30-150 °C after isothermal aging at 125 °C for up to 30 days (720 h). The CTE values of SAC305, SAC387 and Sn-3.5Ag increase by 8-16% after 30 days of aging, while the CTE values of SnCu, SnCu-Ge and SN100C solders increase by only 3-6%. The CTE evolution of lead-free solders can be explained by microstructural changes observed during isothermal aging, which causes coarsening of various phases of the solder. As the phases coarsen, dislocation movement proceeds with a consequent increase in the average interparticle distance. The observation of CTE increases during isothermal aging suggests potential reliability problems for lead-free solder joints subjected to long-term aging exposures at high temperatures.
36 MATERIALS SCIENCE↗
Microstructural evolution of ω assisted α precipitates in β-CEZ alloy during ageing process
Highlights: • Ultrafine Athermal ω precipitates were formed in β-CEZ alloy by quenching from above the β transus temperature. • In the ageing process, these ω precipitates coarsen, accompanied by the form of needle-like α phase. • ω precipitates were formed by {111}β planes shift 0.5d222 along the direction. • The superfine α particles are formed in close proximity of the ω/β interface. - Abstract: The microstructural evolution in β-CEZ (Ti-5Al-2Sn-4Zr-4Mo-2Cr-1Fe wt%) alloy, after quenching and ageing, has been investigated by combining results from orientation imaging microscopy, transmission electron microscopy, high-resolution TEM (HRTEM). Ultrafine Athermal ω precipitates (about 1 nm) are formed in this alloy by quenching from above the β transus temperature. In the ageing process, these ω precipitates coarsen, accompanied by the form of needle-like α phase. The scale of ω assisted α increased from 5 to 10 nm in width and about 50 nm in length to 10 nm in width and 100–300 nm in length while extending ageing time from 2 h to 5 h at 350 °C. However, when going on extending the ageing time from 5 h to 20 h at 350 °C, the scale of α didn't grow dramatically but the density of α increased clearly. When increasing the ageing temperature from 350 °C to 450 °C, the scale of ω assisted α grow dramatically. Furthermore, the structural relationship of ω and α is observed by HRTEM images. It can be found that ω precipitates were formed by {111}β planes shift 0.5d222 along the <111> direction, and the superfine α particles are formed in close proximity of the ω/β interface.
36 MATERIALS SCIENCE↗
Stress-induced α″ phase in a beta Ti–19Nb–1.5Mo–4Zr–8Sn alloy
Highlights: • Morphologies/distributions of α″ produced by stretching/rolling are similar. • Under small deformation, α″ martensite consists of parallel lamellar structures. • Under larger deformations, martensite has ladder-like pattern and parallel ellipsoids. • With the increase of deformation hardness decreases firstly and then increases. - Abstract: The morphological evolution of the stress-induced α″ martensite with increases in the stretching and rolling deformation degrees as well as the related orientation relationship were investigated in a β titanium alloy (Ti–19Nb–1.5Mo–4Zr–8Sn)·For a stretching deformation of 1%, the α″ martensite exhibited a packet morphology consisting of parallel lamellar structures. On the other hand, in the 2%-rolled sample, the α″ martensite exhibited a long lath-like distribution, which was accompanied by a few small pieces. With an increase in the deformation degree, the α″ martensite gradually exhibited a ladder-like structure consisting of long and short α″ laths or ellipsoids. The existence of these self-accommodating martensitic variants decreased the elastic energy. The parallel α″ laths present within a single packet were found to have the same orientation. The interface between the α″ and β phases was coherent, and their lattice constant relationships were identified as √2a{sub β}≈b{sub α″}≈c{sub α″} and a{sub β} ≈ a{sub α″}. Further, with the increase in the deformation degree, the hardness of the alloy first decreased and then increased; this was the case both the stretched as well as the rolled samples.
36 MATERIALS SCIENCE↗