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At least 181 records · Page 10

Materials Data on Sc(TiN)9 by Materials Project

Sc(TiN)9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sc3+ is bonded to six N3- atoms to form ScN6 octahedra that share corners with six TiN5 square pyramids, edges with six TiN6 octahedra, and edges with six TiN5 square pyramids. There are two shorter (2.18 Å) and four longer (2.19 Å) Sc–N bond lengths. There are five inequivalent Ti+2.67+ sites. In the first Ti+2.67+ site, Ti+2.67+ is bonded to five N3- atoms to form TiN5 square pyramids that share corners with two equivalent ScN6 octahedra, corners with seven TiN5 square pyramids, an edgeedge with one ScN6 octahedra, edges with five TiN6 octahedra, and edges with two TiN5 square pyramids. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ti–N bond distances ranging from 2.06–2.13 Å. In the second Ti+2.67+ site, Ti+2.67+ is bonded to six N3- atoms to form TiN6 octahedra that share corners with three TiN6 octahedra, corners with three equivalent TiN5 square pyramids, edges with two equivalent ScN6 octahedra, edges with two TiN6 octahedra, and edges with eight TiN5 square pyramids. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ti–N bond distances ranging from 2.11–2.19 Å. In the third Ti+2.67+ site, Ti+2.67+ is bonded to five N3- atoms to form TiN5 square pyramids that share corners with four TiN6 octahedra, corners with five TiN5 square pyramids, an edgeedge with one ScN6 octahedra, edges with three TiN6 octahedra, and edges with four TiN5 square pyramids. The corner-sharing octahedra tilt angles range from 1–5°. There are a spread of Ti–N bond distances ranging from 2.06–2.16 Å. In the fourth Ti+2.67+ site, Ti+2.67+ is bonded to five N3- atoms to form TiN5 square pyramids that share a cornercorner with one ScN6 octahedra, corners with eight TiN5 square pyramids, an edgeedge with one ScN6 octahedra, edges with four TiN6 octahedra, and edges with three TiN5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ti–N bond distances ranging from 2.07–2.14 Å. In the fifth Ti+2.67+ site, Ti+2.67+ is bonded to six N3- atoms to form TiN6 octahedra that share corners with four equivalent TiN6 octahedra, corners with two equivalent TiN5 square pyramids, edges with two equivalent ScN6 octahedra, edges with two equivalent TiN6 octahedra, and edges with eight TiN5 square pyramids. The corner-sharing octahedra tilt angles range from 2–3°. There are four shorter (2.13 Å) and two longer (2.14 Å) Ti–N bond lengths. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded to one Sc3+ and five Ti+2.67+ atoms to form a mixture of corner and edge-sharing NScTi5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second N3- site, N3- is bonded to one Sc3+ and five Ti+2.67+ atoms to form NScTi5 octahedra that share corners with six NTi6 octahedra and edges with eleven NScTi5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third N3- site, N3- is bonded to six Ti+2.67+ atoms to form a mixture of corner and edge-sharing NTi6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. In the fourth N3- site, N3- is bonded to one Sc3+ and five Ti+2.67+ atoms to form a mixture of corner and edge-sharing NScTi5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the fifth N3- site, N3- is bonded to six Ti+2.67+ atoms to form NTi6 octahedra that share corners with six NTi6 octahedra and edges with ten NScTi5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

36 MATERIALS SCIENCE↗

Materials Data on TiN by Materials Project

TiN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing TiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–N bond lengths are 2.13 Å. N3- is bonded to six equivalent Ti3+ atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on TiN by Materials Project

TiN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ti–N bond lengths are 2.29 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiN by Materials Project

TiN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti3+ is bonded to four equivalent N3- atoms to form corner-sharing TiN4 tetrahedra. All Ti–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Ti3+ atoms to form corner-sharing NTi4 tetrahedra.

36 MATERIALS SCIENCE↗

Parameterization of the β and γ phases of Tin using the Vinet and Mie-Grüneisen Equations of State

When testing new phase aware materials models, it is often not possible to use tabulated Equations of States for the phases since the model might only be available in a smaller specialized research code without capability to read in tables. These EOS parameterizations for two of the solid phases of Tin were developed for testing the Kinetic Phase Transition model by Carl Greeff, LANL. They are based on two isotherms per phase obtained from work in progress by Carl Greeff, and their phase boundary corresponds fairly well to SESAME 2162. A full machinery is applied for the parameterization of the Vinet EOSs while the Mie-Grüneisen parameterizations are translated from the Vinet EOSs.

36 MATERIALS SCIENCE↗

Recent Developments of Tin (II) Sulfide/Carbon Composites for Achieving High-Performance Lithium Ion Batteries: A Critical Review

The ever-increasing worldwide energy demand and the limited resources of fossil have forced the urgent adoption of renewable energy sources. Additionally, concerns over CO 2 emissions and potential increases in fuel prices have boosted technical efforts to make hybrid and electric vehicles more accessible to the public. Rechargeable batteries are undoubtedly a key player in this regard, especially lithium ion batteries (LIBs), which have high power capacity, a fast charge/discharge rate, and good cycle stability, while their further energy density improvement has been severely limited, because of the relatively low theoretical capacity of the graphite anode material which is mostly used. Among various high-capacity anode candidates, tin (II) sulfide (SnS 2 ) has been attracted remarkable attention for high-energy LIBs due to its enormous resource and simplicity of synthesis, in addition to its high theoretical capacity. However, SnS 2 has poor intrinsic conductivity, a big volume transition, and a low initial Coulombic efficiency, resulting in a short lifespan. SnS 2 /carbon composites have been considered to be a most promising approach to addressing the abovementioned issues. Therefore, this review summarizes the current progress in the synthesis of SnS 2 /carbon anode materials and their Li-ion storage properties, with special attention to the developments in Li-based technology, attributed to its immense current importance and promising prospects. Finally, the existing challenges within this field are presented, and potential opportunities are discussed.

25 ENERGY STORAGE↗

All-Ceramic Passive Wireless Temperature Sensor Realized by Tin-Doped Indium Oxide (ITO) Electrodes for Harsh Environment Applications

In this work, an all-ceramic passive wireless inductor–capacitor (LC) resonator was presented for stable temperature sensing up to 1200 °C in air. Instead of using conventional metallic electrodes, the LC resonators are modeled and fabricated with thermally stable and highly electroconductive ceramic oxide. The LC resonator was modeled in ANSYS HFSS to operate in a low-frequency region (50 MHz) within 50 × 50 mm geometry using the actual material properties of the circuit elements. The LC resonator was composed of a parallel plate capacitor coupled with a planar inductor deposited on an Al2O3 substrate using screen-printing, and the ceramic pattern was sintered at 1250 °C for 4 h in an ambient atmosphere. The sensitivity (average change in resonant frequency with respect to temperature) from 200–1200 °C was ~170 kHz/°C. The temperature-dependent electrical conductivity of the tin-doped indium oxide (ITO, 10% SnO2 doping) on the quality factor showed an increase of Qf from 36 to 43 between 200 °C and 1200 °C. The proposed ITO electrodes displayed improved sensitivity and quality factor at elevated temperatures, proving them to be an excellent candidate for temperature sensing in harsh environments. The microstructural analysis of the co-sintered LC resonator was performed using a scanning electron microscope (SEM) which showed that there are no cross-sectional and topographical defects after several thermal treatments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The arc spectrum of tin

Photographic investigation of arc spectrum of tin by plane and concave grating spectrographs and Fabry-Perot interferometers

PHOTOGRAPHIC MEASUREMENT↗

(abstract) A Brief, Selective Review of Thermal Cycling Fatigue in Eutectic Tin-Lead Solder

This paper reviews selected parts of the current literature relevant to thermo-mechanical fatigue mechanisms in eutectic tin-lead solder, and suggests a general outline to account for some observed failures. The field is found to be complex. One recent experimental study finds some failure modes to be sensitive to joint geometry. Attempts to extrapolate from test environments to service environments have had only limited success. Much work remains to be done before fatigue failures in this material can be considered as under practical control.

environments↗

Solution Processed Ternary Tin (II) Alloy as Hole–Transport Layer of Sn–Pb Perovskite Solar Cells for Enhanced Efficiency and Stability

Tin-lead (Sn-Pb) narrow bandgap (NBG) perovskites show great potential in both single-junction and all-perovskite tandem solar cells. Sn-Pb perovskite solar cells (PSCs) are still limited by low charge collection efficiency and poor stability. Here, we report a ternary Sn (II) alloy of SnOCl as the hole-transport material (HTM) with a work function of 4.95 eV for Sn-Pb PSCs. The solution processed SnOCl layer has a texture structure which not only reduces the optical loss of the devices but also changes grain growth of Sn-Pb perovskites and boosts the carrier diffusion length to 3.63 μm. The formation of small perovskite grains at the HTM/perovskite interface is suppressed. These result in an almost constant internal quantum efficiency of 96 ± 2% across the absorption spectrum of Sn-Pb perovskites. The SnOCl HTM significantly enhances the stability of Sn-Pb PSCs with 87% of its initial efficiency retained after 1-sun illumination for 1,200 h, and keep 85% efficiency under 85°C thermal stress for 1,500 h. Furthermore, the hybrid HTM further improve the stabilized efficiencies of single-function Sn-Pb PSCs and all-perovskite tandem solar cells to 23.2% and 25.9%, respectively. This discovery opens an avenue to the multi-component metal alloys as HTM in PSCs.

36 MATERIALS SCIENCE↗

Twisted Tin‐Chloride Perovskite Single‐Crystal Heterostructures

Self-assembly affords simpler synthetic routes to heterostructures compared with manual layer-by-layer stacking, yet controlling interlayer twist angles in a bulk solid remains an outstanding challenge. We report two new single-crystal heterostructures: (Sn 2 Cl 2 )(CYS) 2 SnCl 4 (CYS = + NH 3 (CH 2 ) 2 S – ; Sn_CYS) and (Sn 2 Cl 2 )(SeCYS) 2 SnCl 4 (SeCYS = + NH 3 (CH 2 ) 2 Se – ; Sn_SeCYS) synthesized in solution, with alternating perovskite and intergrowth layers. Notably, compared to the recently reported lead analog, (Pb 2 Cl 2 )(CYS) 2 PbCl 4 (Pb_CYS), the tin heterostructures feature a twist between the perovskite and intergrowth layers. We trace this twist to local distortions at the Sn centers, which change the interfacial lattice-matching requirements compared to those of the Pb analog. Electronic band structure calculations show that the striking differences in the relative energies of perovskite- and intergrowth-derived bands in Sn_CYS and Pb_CYS arise from structural and not compositional differences. The structural anisotropy of Sn_CYS is also reflected in a large in-plane photoluminescence linear anisotropy ratio. Interfacial strain further affords differential incorporation of Pb into the perovskite and intergrowth layers of the Sn heterostructures, resulting in redshifted optical absorption onsets. Thus, we posit that local structural distortions may be exploited to manipulate the twist angle and interfacial strain in bulk heterostructures, providing a new handle for tuning the band alignments of bulk quantum-well electronic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Processing and properties of hafnium-doped tin-modified lead zirconate titanate 95/5 ceramics

Niobium (Nb)-doped lead-tin-zirconate-titanate (PSZT) ceramics near the lead-zirconate-titanate 95/5 orthorhombic AFE-rhombohedral FE morphotropic phase boundary (PSZT 13.5/81/5.5 -1.6Nb) were prepared with up to 10 mol.% of hafnium (Hf) substituted for zirconium. The ceramics were prepared by a traditional solid-state synthesis route and sintered to near full density at 1150°C for 6 h in sealed alumina crucibles with self-same material as the lead vapor source. All compositions were ~98% dense with no detectable secondary phases by X-ray diffraction. The grain size was ~3 μm for all compositions, consisting of equiaxed grains with intergranular porosity. The compositions exhibited remnant polarization values of ~32 μC/cm 2 . Depolarization by the hydrostatic pressure-induced FE-AFE phase transition occurred at 310 MPa for all compositions, resulting in a total depolarization output of 32.4 μC/cm 2 for the PSZT ceramics. Evaluation of the R3c-R3m and R3m-Pm $\bar{3}$ m phase transition temperatures by impedance spectroscopy showed temperatures on heating ranging from 86 to 92°C and 186 to 182°C, respectively, for increasing nominal Hf content. Thermal hysteresis of the phase transitions was also observed in the ceramics, with the transition temperature on cooling being 1–4°C lower. The study demonstrated that the PSZT ceramics are relatively insensitive to variations in Hf content in the range of 0 to 10 mol.%.

36 MATERIALS SCIENCE↗