Temperature Dependence Of Structure Research Articles

A Trimming-π Strategy for Constructing Functional Conductive Metal-Organic Frameworks Using Metalloporphyrazine Units.

Developing functional metal-organic frameworks (MOFs) with high electrical conductivity is crucial for their applications as advanced electronic materials. In this work, we for the first time construct a new family of functional and highly conductive MOFs using metalloporphyrazine (MPz) ligands based on a trimming-π concept via cutting the benzene ring from molecular metallopthalocynine (MPc). The deprotonation-after-coordination synthetic method affords crystalline MPz-Cu-NH MOFs with square lattices. Four-point probe conductivity measurements reveal the high room temperature electrical conductivity of MPz-based MOFs ranging from 3.5 × 10-2 to 1.3 × 10-1 S cm-1, two orders of magnitude higher than the MPc-based MOF counterparts. Temperature-dependent conductivity measurements and electronic band structure analysis demonstrate ultra-small activation energies with potential metallic conducting behavior for the MPz-Cu-NH MOFs. Encapsulation of the aromatic guest molecules with different electron-donating and -withdrawing features allows the conductivity modulation of the CuPz-Cu-NH in a wide range spanning two orders of magnitude. These conductive MPz-Cu-NH MOFs with built-in MPz functional units exhibit MPz identity-dependent sensing performance, and realize highly sensitive detection of NH3 and NO2 using a low driving voltage of 0.1 V.

Activation of peroxymonosulfate by a core-shell structured carbon-encapsulated cobalt ferrite (CoFe2O4/CoFe@C) for bisphenol S removal: Temperature-dependent structure and degradation mechanism elucidation

Activation of peroxymonosulfate by a core-shell structured carbon-encapsulated cobalt ferrite (CoFe2O4/CoFe@C) for bisphenol S removal: Temperature-dependent structure and degradation mechanism elucidation

In-situ characterization of temperature-dependent domain structure and permittivity of KTN crystals with applied field

In-situ characterization of temperature-dependent domain structure and permittivity of KTN crystals with applied field

Surface-specific thermal spin-depolarization on the half-metallic Heusler films

Half-metallic ferromagnets exhibit a perfect spin-polarization at the Fermi energy. Among many candidates, Co2MnSi Heusler alloy is the most investigated material due to its half-metallic nature and high Curie temperature (TC). Magnetic junction devices using Co2MnSi show remarkable performance at low temperatures. However, the performance is significantly degraded at room temperature, which requires a detailed understanding of the temperature-dependent electronic structure of Co2MnSi films. Here, using surface-sensitive spin- and angle-resolved photoelectron spectroscopy combined with first-principles calculations, we verify the temperature- and momentum-dependent spin-polarization of Co2MnSi thin-film. The recorded spin-polarization reaches ~ 60-75% at 50 K, while it reduces ~ 30-50% at 300 K. The observed surface-specific spin-depolarization behavior can be described by the thermally excited magnon model even well below TC, and we conclude that the spin-fluctuation is markedly enhanced on its surface. Our findings provide insights into the temperature-dependent electronic structure of half-metallic Heusler films, which could have significant implications for future spintronic applications.

Structurally and Electronically Anisotropic Nature of Bridgman-Grown Cs3Sb2Br9 Perovskite Single Crystal toward Efficient Photodetector.

Cs3Sb2Br9, as a sort of novel lead-free perovskite single crystal, has the merits of high carrier mobility and a long diffusion length. However, the large-sized and high-crystallized Cs3Sb2Br9 single crystals are not easily obtained. Herein, we apply the vertical Bridgman method to grow centimeter-sized Cs3Sb2Br9 single crystal. The temperature-dependent crystal structure of Cs3Sb2Br9 is in situ characterized in the temperature range of 100-400 K. A novel crystallographic and electronic structure anisotropy of the as-grown Cs3Sb2Br9 single crystal along the transmission directions of [100] and [001] is experimentally and theoretically proved. Owing to the layered two-dimensional (2D) structure of Cs3Sb2Br9, quantum confinement effects prolong the lifetime of hot carriers, leading to their accumulation within the Sb-Br plane along the [100] direction, thereby resulting in a higher density of electronic states. Accordingly, the [100] device exhibits a carrier mobility higher than that of the [001] device, with the [100] device mobility being 4 orders of magnitude higher than that of the [001] device at 423 K, showing a remarkable anisotropy. The [100] device also shows responsivity ∼10 times higher than that of the [001] device.

Exploring the temperature dependence of drag coefficient on a single air bubble rising inside ethanol-water mixtures: New correlations for multiphase flow applications

Exploring the temperature dependence of drag coefficient on a single air bubble rising inside ethanol-water mixtures: New correlations for multiphase flow applications

Magnetic domain study in Fe3GaTe2 ferromagnet with strong perpendicular anisotropy using magnetic force microscopy

We investigate the magnetic domain behavior of bulk Fe3GaTe2, a van der Waals (vdW) ferromagnet characterized by a Curie temperature (Tc) of 350–380 K and significant perpendicular magnetic anisotropy (PMA). Using magnetic force microscopy, we present the evolution of magnetic domains during cooling from Tc to 300 K, and analyze magnetic domain images along the hysteresis loop at 4.2 K. Our observations reveal a strong temperature-dependent domain structure. From room temperature to Tc, we observe the coexistence of stripe, bubble, and surface spike domains. In contrast, in the zero-field cooled state at 4.2 K, irregular stripe and enclosed ring domains predominate. The correlation between global and local magnetization suggests that the hysteretic behavior in the magnetization results from the rapid nucleation of a few stripe domains evolving into intricate dendritic patterns, a phenomenon not previously observed in other vdW systems. These findings highlight the delicate balance among interlayer exchange coupling, thermal fluctuations, and PMA in the formation of various domains in a 3D vdW system, where shape anisotropy is minimized.

Development of Highly Sensitive and Thermostable Microelectromechanical System Pressure Sensor Based on Array-Type Aluminum-Silicon Hybrid Structures.

In order to meet the better performance requirements of pressure detection, a microelectromechanical system (MEMS) piezoresistive pressure sensor utilizing an array-type aluminum-silicon hybrid structure with high sensitivity and low temperature drift is designed, fabricated, and characterized. Each element of the 3 × 3 sensor array has one stress-sensitive aluminum-silicon hybrid structure on the strain membrane for measuring pressure and another temperature-dependent structure outside the strain membrane for measuring temperature and temperature drift compensation. Finite-element numerical simulation has been adopted to verify that the array-type pressure sensor has an enhanced piezoresistive effect and high sensitivity, and then this sensor is fabricated based on the standard MEMS process. In order to further reduce the temperature drift, a thermodynamic control system whose heating feedback temperature is measured by the temperature-dependent structure is adopted to keep the working temperature of the sensor constant by using the PID algorithm. The experiment test results show that the average sensitivity of the proposed sensor after temperature compensation reaches 0.25 mV/ (V kPa) in the range of 0-370 kPa, the average nonlinear error is about 1.7%, and the thermal sensitivity drift coefficient (TCS) is reduced to 0.0152%FS/°C when the ambient temperature ranges from -20 °C to 50 °C. The research results may provide a useful reference for the development of a high-performance MEMS array-type pressure sensor.

Unraveling the Solution Aggregation Structures and Processing Resiliency of High-Efficiency Organic Photovoltaic Blends.

The solution aggregation structure of conjugated polymers is crucial to the morphology and resultant optoelectronic properties of organic electronics and is of considerable interest in the field. Precise characterizations of the solution aggregation structures of organic photovoltaic (OPV) blends and their temperature-dependent variations remain challenging. In this work, the temperature-dependent solution aggregation structures of three representative high-efficiency OPV blends using small-angle X-ray/neutron scattering are systematically probed. Three cases of solution processing resiliency are elucidated in state-of-the-art OPV blends. The exceptional processing resiliency of high-efficiency PBQx-TF blends can be attributed to the minimal changes in the multiscale solution aggregation structure at elevated temperatures. Importantly, a new parameter, the percentage of acceptors distributed within polymer aggregates (Ф), for the first time in OPV blend solution, establishes a direct correlation between Ф and performance is quantified. The device performance is well correlated with the Kuhn length of the cylinder related to polymer aggregates L1 at the small scale and the Ф at the large scale. Optimal device performance is achieved with L1 at ≈30nm and Ф within the range of 60±5%. This study represents a significant advancement in the aggregation structure research of organic electronics.

Topology optimization design of frequency- and temperature-dependent viscoelastic shell structures under non-stationary random excitation

Topology optimization design of frequency- and temperature-dependent viscoelastic shell structures under non-stationary random excitation

Temperature-Dependent Structure–Property Relationship of Mn-Doped Cs2AgInCl6 Thin Films Impacts Its Application as a Self-Powered UV Photodetector

Temperature-Dependent Structure–Property Relationship of Mn-Doped Cs₂AgInCl₆ Thin Films Impacts Its Application as a Self-Powered UV Photodetector

Electronic structure of superconducting VN(111) films

Vanadium nitride (VN) is a transition-metal nitride with remarkable properties that have prompted extensive experimental and theoretical investigations in recent years. However, there is a current paucity of experimental research investigating the temperature-dependent electronic structure of single-crystalline VN. In this study, high-quality VN(111) films were successfully synthesized on α\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\alpha$$\\end{document}-Al2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document}O3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_3$$\\end{document}(0001) substrates using magnetron sputtering. The crystal and electronic structures of the VN films were characterized by a combination of high-resolution X-ray diffraction, low-energy electron diffraction, resonant soft X-ray absorption spectroscopy, and ultraviolet photoelectron spectroscopy. The electrical transport measurements indicate that the superconducting critical temperature of the VN films is around 8.1 K. Intriguingly, the temperature-dependent photoelectron spectroscopy measurements demonstrate a weak temperature dependence in the electronic structure of the VN films, which is significant for understanding the ground state of VN compounds.

Highly efficient and reusable nanostructured porous Ni/La2O2CO3 tandem catalyst for hydrogen and methane production from subcritical hydrothermal treatment of nitrocellulose

Highly efficient and reusable nanostructured porous Ni/La2O2CO3 tandem catalyst for hydrogen and methane production from subcritical hydrothermal treatment of nitrocellulose

Temperature-Dependent Structure Formation in the Wetting Layer of the Ionic Liquid [C2C1Im][OTf] on Au(111)

Temperature-Dependent Structure Formation in the Wetting Layer of the Ionic Liquid [C₂C₁Im][OTf] on Au(111)

Temperature-Dependent Twist of Double-Stranded RNA Probed by Magnetic Tweezer Experiments and Molecular Dynamics Simulations.

RNA plays critical roles in the transmission and regulation of genetic information and is increasingly used in biomedical and biotechnological applications. Functional RNAs contain extended double-stranded regions, and the structure of double-stranded RNA (dsRNA) has been revealed at high resolution. However, the dependence of the properties of the RNA double helix on environmental effects, notably temperature, is still poorly understood. Here, we use single-molecule magnetic tweezer measurements to determine the dependence of the dsRNA twist on temperature. We find that dsRNA unwinds with increasing temperature, even more than DNA, with ΔTwRNA = -14.4 ± 0.7°/(°C·kbp), compared to ΔTwDNA = -11.0 ± 1.2°/(°C·kbp). All-atom molecular dynamics (MD) simulations using a range of nucleic acid force fields, ion parameters, and water models correctly predict that dsRNA unwinds with rising temperature but significantly underestimate the magnitude of the effect. These MD data, together with additional MD simulations involving DNA and DNA-RNA hybrid duplexes, reveal a linear correlation between the twist temperature decrease and the helical rise, in line with DNA but at variance with RNA experimental data. We speculate that this discrepancy might be caused by some unknown bias in the RNA force fields tested or by as yet undiscovered transient alternative structures in the RNA duplex. Our results provide a baseline to model more complex RNA assemblies and to test and develop new parametrizations for RNA simulations. They may also inspire physical models of the temperature-dependent dsRNA structure.

Dynamic Topology Optimization of Constrained Damping Plates considering Frequency and Temperature Characteristics Based on an Efficient Strategy

The frequency- and temperature-dependent characteristics of viscoelastic materials significantly affect the vibration response of the damped composite structures. In this paper, an efficient strategy of hybrid expansion combined with dynamic reduction is developed to solve the steady-state response of the frequency- and temperature-dependent viscoelastic structure characterized by nonproportional system, and the sensitivity analysis is carried out based on the adjoint variable method. The similarity index is defined to distinguish the correlation among different design layouts. Two instances demonstrated the validity of the proposed approach. The findings indicated that a positive compromise between accuracy and efficiency can be achieved, and the computational time can be significantly reduced while ensuring the accuracy of the results. Furthermore, it has been discovered that the excitation frequency and temperature significantly impact the optimal configuration of damping material. The effects of layer thicknesses and volume fractions on optimization designs are also further investigated.

Temperature-Tunable Operando Nondestructive Detection of Electronic and Geometrical Structures in Battery Electrodes.

Real-time monitoring of the structural evolution of battery materials is crucial for understanding their underlying reaction mechanisms, which cannot be satisfied by the typically used post-mortem analysis. While more and more operando techniques were constructed and employed, they are all based on ambient working conditions that are not generally the case for real-world applications. Indeed, batteries work in an environment where self-heat dissipation increases the surrounding temperature, and extreme temperature applications (<-20 °C or >60 °C) are also frequently proposed. Operando characterization techniques under variable temperatures are therefore highly desired for tracking battery reactions under real-working conditions. Here, we develop a methodology to operando monitor the electronic and geometrical structures of battery materials over a wide range of temperatures based on X-ray spectroscopies. It is substantiated with data collected on a model LiNi0.90Co0.05Mn0.05O2/Si@C pouch cell under operando quick X-ray absorption fine structure spectroscopy, by which we found a temperature-dependent structure evolution behavior that is highly correlated with the electrochemical performance. Our work establishes an exemplary protocol for analyzing battery materials under temperature-variable environments that can be widely used in other related fields.

Wear-resistant CoCrNi multi-principal element alloy at cryogenic temperature

Wear-resistant CoCrNi multi-principal element alloy at cryogenic temperature

Multi-scale concurrent topology optimization of frequency- and temperature-dependent viscoelastic structures for enhanced damping performance

Multi-scale concurrent topology optimization of frequency- and temperature-dependent viscoelastic structures for enhanced damping performance

Investigation of ferroelectric Ba1−xCaxZryTi1−yO3 single crystal by in situ temperature-dependent x-ray diffraction and first-principles calculations

In situ temperature-dependent crystal structure of lead-free ferroelectric perovskite Ba0.798Ca0.202Zr0.006Ti0.994O3 single crystal was characterized using x-ray diffraction from 170 to 380 K. Three phases were identified at different temperatures of 170, 220, and 298 K, revealing rhombohedral (R3m), orthorhombic (Pmm2), and tetragonal (P4mm) crystal structures, respectively. The change in the bond length and its distortion are reported for both AO12 and BO6 polyhedrons, allowing for the estimation of the spontaneous polarization. The Debye–Waller factor is reported as a function of temperature for A and B-sites. Density-functional theory calculations on the tetragonal phase were performed to obtain information on the distribution of the Ca ions, the local atomic displacements, and the ideal value of the spontaneous polarization of a defect-free crystal at 0 K. We find that Ca prefers to arrange in columnar 2D plates oriented along the tetragonal axis. The Ca ions avoid being next neighbors of Zr; however, the specific arrangement of Ca has only a minor impact on the spontaneous polarization.