We investigated the structural, magnetic, magnetocaloric, and magnetotransport properties of Ni50Mn35In15 Heusler alloys via partial substitution of Ni with 3 at.% Bi (Ni47Bi3Mn35In15) and 3 at.% Si (Ni47Si3Mn35In15) synthesized by arc melting. X-ray diffraction confirms a predominantly L21 cubic structure (space group Fm-3m), while SEM/EDX analysis verifies compositional homogeneity. Temperature-dependent magnetization measurements reveal that the Bi-substituted alloy exhibits a first-order magnetostructural transition associated with the martensitic transformation, followed by a second-order magnetic phase transition from ferromagnetic to paramagnetic behavior near the Curie temperature. In contrast, the Si-substituted alloy shows a single second-order transition with negligible thermal hysteresis, indicating suppression of the martensitic phase. The Curie temperature decreases from 324 K for the parent alloy to 313 K and 286 K for the Bi- and Si-substituted alloys, respectively. A maximum magnetic entropy change of 6.0 Jkg−1K−1 and 4.5 Jkg−1K−1 is observed for the Bi- and Si-substituted alloys, respectively, under an applied magnetic field change of 50 kOe, with corresponding relative cooling power values of 303 Jkg−1 and 345 Jkg−1. These results demonstrate that lattice expansion (Bi) and contraction (Si) distinctly modify Mn–Mn exchange interactions, enabling tunable magnetocaloric performance in Ni–Mn–In Heusler alloys.

This work is a systematic investigation of the influence of the isoelectronic substitution of In for Ga on the crystal structures, magnetic behaviors, and magnetocaloric responses of Mn60Ga20-xInxC20 compounds (x = 1, 2, 3, 4, 5). The materials were synthesized using a ball milling technique. All compositions crystallized in a cubic anti-perovskite structure with space group Pm-3m. A low-temperature transition at Tt exhibits first-order characteristics and likely corresponds to a transition from a non-collinear antiferromagnetic-like (AFM) state to a ferromagnetic (FM) phase. At higher temperature, a second-order transition from the FM to the paramagnetic (PM) phase occurs at the Curie temperature (TC). As the In concentration increased, TC increased and Tt decreased, reaching 272 K and 149 K, respectively, for x = 5. These shifts are attributed to lattice expansion induced by In substitution. Among the compositions studied, the sample with x = 2 exhibited the highest magnetic entropy change (|∆SM| = 2.84 JKg-1K-1) near TC = 252 K for a magnetic field change of 5 T. These findings highlight the importance of structural tuning in optimizing magnetocaloric performance in Mn-based antiperovskite systems.

This work presents a comprehensive analysis of exfoliated Cr 2 Te 3 including microstructural and magnetic properties, complemented by DFT calculations. A prototype was developed to enable investigation of the magnetocaloric effect (MCE).

High entropy alloys (HEAs) are promising magnetocaloric materials with tunable operating temperature conditions using compositional modifications. Here, we combine experiments and first principles based spin modelling to engineer magnetocaloric response in single-phase cubic HEAs consisting of earth-abundant elements such as Fe, Ni, Co, Cr, and Cu. An equiatomic (Fe20Ni20Co20Cr20Cu20) and a Fe and Co rich non equiatomic (Fe34Ni17.7Co24.8Cr15.2Cu8.3) show a continuous ferromagnetic to paramagnetic transition with Curie temperature (TC)=110 K and TC=420 K for non equiatomic. Under the 1.6 Tesla magnetic field, the investigated alloy shows the entropy change =1.24 J per kgK with relative cooling power (RCP) =92 J per kg due to a broader effective cooling span. Density functional theory simulations reveal that reducing Cu enhances the spin-polarized Fe, Co, or Ni, 3d weight near fermi level, consistent with stronger ferromagnetic exchange. Exchange couplings mapped onto a classical Heisenberg model and solved by atomistic Monte Carlo to theoretically predict TC of both the investigated alloys. A controlled theoretical Cu sweep in equimolar further confirms that increasing Cu monotonically dilutes the magnetic sublattice and lowers TC, providing a quantitative design guideline to tune magnetocaloric operating temperatures in transition metal HEAs.

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) remain a topic of immense interest. Given their low operational switching energy costs, there is immense opportunity for niche applications in new computing architectures with the promise of continued miniaturization. However, deleterious and time-consuming transfer processes and multiple channel/contact engineering steps can substantially degrade device performance. This work demonstrates kinetics-governed in situ growth regimes (surface or edge growth from gold) of WSe2 and provides a mechanistic understanding of these regimes via energetics across various material interfaces. As a proof-of-concept, field effect transistors (FET) with an in situ grown WSe2 channel across Au contacts are fabricated directly via chemical vapor deposition, demonstrating a 2D semiconductor transistor via a "transfer-free" method. We leverage directional edge growth to fabricate contacts with robust thickness-dependent Schottky-to-Ohmic behavior.

Magnetic refrigeration-based technologies rely on the magnetocaloric properties of materials and are crucial for improving energy efficiency and for supporting clean environments. However, materials possessing significant magnetocaloric properties that can be used for room temperature-based applications are still lacking. Heusler alloys (such as Mn-Ni-Ga) show giant magnetocaloric effects, which can be further improved by tuning their composition. Herein, we optimized the ratio of Ni to Ga to achieve an alloy with unique magnetocaloric properties. The alloy demonstrated a substantial magnetocaloric effect, attributed to its narrow temperature range for structural and magnetic phase transitions (near room temperature with minimal hysteresis). Structural phase changes were also observed through high-resolution transmission electron microscopy. Optimum entropy changes, calculated from isothermal magnetization curves (4 Tesla magnetic field), were found to be 24.50 J kg-1 K-1, which is higher than that of state-of-the-art alloys. Experimental demonstration of the magnetocaloric effect (refrigeration cycle) was also carried out using a thermal imaging camera. Furthermore, first-principles calculations were conducted to validate the experimental findings, specifically focusing on the compositional effects on the structural transitions and magnetic properties of the investigated MNG alloys.

The phase transitions of a series of Co-doped Heusler alloys, Ni2Mn1-xCoxGa ( 0 <= x <= 0.2), were investigated experimentally using the magnetization measurements, x-ray diffraction, and calorimetric measurements up to their respective melting points. With increasing Co concentration, the structural transition temperatures, Curie temperatures, and melting points, were observed to increase, while the order-disorder transition temperatures decreased. Temperature-dependent x-ray diffraction experiments revealed two different crystal structures in the low-temperature martensite phase for different Co concentrations. However, above their respective structural transitions, both low-temperature crystal structures transformed into the L2( 1) cubic structure. These findings enabled the construction of a complete magnetic and structural phase diagram for Ni2Mn1-xCoxGa, spanning from cryogenic temperatures to the melting points. The temperature-dependent XRD results revealed the abrupt changes in interatomic Mn-Mn distances, which validates the crucial role of Mn-Mn interatomic distance and the effect of the magnetic coupling competition in the structural stability between the martensite phase and austenite phase.

We present results on the structural and magnetic properties of the B-doped Mn60Ga20C20-xBx system with x = 0, 1, 2, 3, 4 and 5. A ball milling technique followed by pressing the components, and annealing under an ultra-high purity argon atmosphere for 2 h was employed to fabricate the samples. According to the XRD diffraction data, all samples can be described as single-phase compounds (i.e., the Mn3Ga cubic phase in the Pm-3 m space group) where impurity phases did not exceed 5 %. The compounds with x < 5 show similar physical behaviors as the parent, Mn3Ga2C2, which can be generally characterized by a low temperature transition from low to high magnetization states. High boron concentrations were found to completely suppress the antiferromagnetic state. The (x-T-C) phase diagram at 10 K has been constructed and discussed. The magnetocaloric measurements result in magnetic entropy changes of 3.0 Jkg(-1)k(-1) at 5 T and Delta T-ad by direct measurement of about 0.8 K at 1.8 T.

In this study, phase transitions (structural and magnetic) and associated magnetocaloric properties of stoichiometric MnCoGe have been investigated as a function of annealing pressure. Metastable phases were generated by annealing at 800 °C followed by rapid cooling under pressures up to 6.0 GPa. The x-ray diffraction results reveal that the crystal cell volume of the metastable phases continuously decreases with increasing thermal processing pressure, leading to a decrease in the structural transition temperature. The magnetic and structural transitions merge and form a first-order magnetostructural transition between the ferromagnetic orthorhombic and paramagnetic hexagonal phases over a broad temperature range (>80 K) spanning room temperature, yielding considerable magnetic entropy changes. These findings demonstrate the utility of thermal processing under high pressure, i.e., high-pressure annealing, to control the magnetostructural transitions and associated magnetocaloric properties of MnCoGe without altering its chemical composition.

Transition metal telluride compositions are explored extensively for their unique magnetic behavior. Since chromium telluride (Cr2Te3) exhibits a near-room-temperature phase transition, the material can be effectively used in applications such as magnetic refrigeration. Compared to existing magnetocaloric materials, Heusler alloys, and rare-earth-based alloys, the large-scale synthesis of Cr2Te3 involves less complexity, resulting in a stable composition. Compared to existing tellurides, Cr2Te3 exhibited a large magnetic entropy change of 2.36 J/kg-K at a very small magnetic field of 0.1 T. The refrigeration capacity (RC) of 160 J/kg was determined from entropy change versus temperature curve. The results were comparable with the existing Cr compounds. The telluride system, Cr2Te3 compared to pure gadolinium, reveals an enhanced room temperature magnetocaloric effect (MCE) with a broad working temperature range. The heating cycle of MCE was successfully visualized using a thermal imaging setup. To confirm the observed magnetic properties of Cr2Te3, first-principles calculations were conducted. Through density functional theory (DFT) studies, we were able to determine both Curie temperature (TC) and Neel temperature (TN) which validated our experimental transitions at the same temperatures. Structural transition was also observed using first principles DFT calculation which is responsible for magnetic behavior.

The phase transitions in MnNiGe compounds were explored by manipulating the heat treatment conditions and through hydrostatic pressure application. As the quenching temperature increased, both the first-order martensitic structural transition temperatures and magnetic transition temperatures decreased relative to those in the slowly-cooled samples. When the samples were quenched from 1200 circle C, the first-order martensitic structural transition temperature lowered by more than 200 K. The structural transitions also shifted to lower temperature with the application of hydrostatic pressure during measurement. Temperature-dependent x-ray diffraction results reveal that the changes of the cell parameters resulting from the structural transitions are nearly identical for all samples regardless of the extensive variation in their structural transition temperatures. In addition, neutron scattering measurements confirm the magnetic structure transition between simple and cycloidal spiral magnetic structures.

Transition metal dichalcogenides (TMDs)-based field-effect transistors (FETs) are being investigated vigorously for their promising applications in optoelectronics. Despite the high optical response reported in the literature, most of them are studied at room temperature. To extend the application of these materials in a photodetector, particularly at a low temperature, detailed understanding of the photo response behavior of these materials at low temperatures is crucial. Here we present a systematic investigation of temperature-dependent electronic and optoelectronic properties of few-layers MoS2 FETs, synthesized using the mechanical exfoliation of bulk MoS2 crystal, on the Si/SiO2 substrate. Our MoS2 FET show a room-temperature field-effect mobility μFE ~40 cm2·V−1·s−1, which increases with decreasing temperature, stabilizing at 80 cm2·V−1·s−1 below 100 K. The temperature-dependent (50 K < T < 300 K) photoconductivity measurements were investigated using a continuous laser source λ = 658 nm (E = 1.88 eV) over a broad range of effective illuminating laser intensity, Peff (0.02 μW < Peff < 0.6 μW). Photoconductivity measurements indicate a fractional power dependence of the steady-state photocurrent. The room-temperature photoresponsivity (R) obtained in these samples was found to be ~2 AW−1, and it increases as a function of decreasing temperature, reaching a maximum at T = 75 K. The optoelectronic properties of MoS2 at a low temperature give an insight into photocurrent generation mechanisms, which will help in altering/improving the performance of TMD-based devices for various applications.

Metastable phases were formed in Mn1−xCoxNiGe (x=0.05 and 0.08) by annealing at 800 °C followed by rapid cooling, i.e., quenching, at ambient pressure (P=0) and under a pressure of P=3.5 GPa, and their phase transitions and associated magnetocaloric properties were investigated. The crystal cell volumes of the metastable phases decreased, and their structural transitions significantly shifted to lower temperatures relative to those of the slow-cooled compounds, with a greater reduction observed in the samples where the rapid cooling occurred under high pressures. The magnetic and structural transitions coupled to form a magnetostructural transition in the metastable phases, resulting in large magnetic entropy changes up to −79.6 J kg−1 K−1 (x=0.08) for a 7-T field change. The experimental results demonstrate thermal quenching and high-pressure annealing as alternative methods to create magnetostructural transitions, without modifying the compositions of the materials.

Injectable scaffolds are a promising strategy to restore and regenerate damaged and diseased tissues. They require minimally invasive procedure and allow the formation of an in-situ structure of any shape. However, the formation of 3D in-situ structure with aligned morphologies using a method which could be easily transferred to clinical settings remains a challenge. Herein, the rational design of an aligned injectable hydrogel-based scaffold via remote-induced alignment is reported. Carboxylated multi-walled carbon nanotubes (cMWCNT) are aligned into hydrogel via low magnetic field. The uniform dispersion and alignment of cMWCNT into the hydrogel are clearly demonstrated by small angle neutron scattering. The obtained aligned cMWCNT-embodied hydrogel is stable over 7 days at room temperature and as well at body temperature (i.e. 37 °C). As unique approach, the formation of MWCNT-hydrogel composite is investigated combining rheology with molecular dynamic and quantum mechanical calculations. The increase of MWCNT concentration into the hydrogel decreases the total energy promoting structural stabilization and increase of stiffness. The remote aligning of injectable hydrogel-based scaffold opens up horizons in the engineering of functional tissues which requires specific cell orientation.

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) remain a topic of immense interest. Specifically, given their low operational switching costs, they find many niche applications in new computing architectures with the promise of continued miniaturization. However, challenges lie in Back End of Line (BEOL) integration temperature and time compliance regarding current requirements for crystal growth. Additionally, deleterious and time-consuming transfer processes and multiple steps involved in channel/contact engineering can cripple device performance. This work demonstrates kinetics-governed in-situ growth regimes (surface or edge growth from gold) of WSe2 and provides a mechanistic understanding of these regimes via energetics across various material interfaces. As a proof-of-concept, field effect transistors (FET) with an in-situ grown WSe2 channel across Au contacts are fabricated, demonstrating a 2D semiconductor transistor via a transfer-free method within the 450-600 C 2h-time window requirement BEOL integration. We leverage directional edge growth to fabricate contacts with robust thickness-dependent Schottky-to-Ohmic behavior. By transitioning between Au and SiO2 growth substrates in situ, this work achieves strain-induced subthreshold swing of 140 mV/decade, relatively high mobility of 107 +- 19 cm2V-1s-1, and robust ON/OFF ratios 10^6 in the fabricated FETs.

Materials and composites with the ability to convert light into electricity are essential for a variety of applications, including solar cells. The development of materials and processes needed to boost the conversion efficiency of solar cell materials will play a key role in providing pathways for dependable light to electric energy conversion. Here, we show a simple, single-step technique to synthesize photoactive nanocomposites by coupling carbon nanotubes with semiconducting quantum dots using a molecular linker. We also discuss and demonstrate the potential application of nanocomposite for the fabrication of bulk heterojunction solar cells. Cadmium selenide (CdSe) quantum dots (QDs) were attached to multiwall carbon nanotubes (MWCNTs) using perylene-3, 4, 9, 10-tetracarboxylic-3, 4, 9, 10-dianhydride (PTCDA) as a molecular linker through a one-step synthetic route. Our investigations revealed that PTCDA tremendously boosts the density of QDs on MWCNT surfaces and leads to several interesting optical and electrical properties. Furthermore, the QD–PTCDA–MWCNTs nanocomposites displayed a semiconducting behavior, in sharp contrast to the metallic behavior of the MWCNTs. These studies indicate that, PTCDA interfaced between QDs and MWCNTs, acted as a molecular bridge which may facilitate the charge transfer between QDs and MWCNTs. We believe that the investigations presented here are important to discover simple synthetic routes for obtaining photoactive nanocomposites with several potential applications in the field of opto-electronics as well as energy conversion devices.

Benzoic acid is the simplest aromatic carboxylic acid that is also a common water contaminant. Its structural and amphiphilic properties are shared by many other contaminants of concern. Based on a molecular dynamics study, this work reports the competitive adsorption of benzoic acid with water on the curved exteriors of carbon nanotubes of varying oxygen content. With the help of cylindrically approximated pair correlation functions, carboxyl-carboxyl associations were found to serve as an additional mechanism providing stability to the adsorbed benzoic acid on tube exteriors. These associations are secondary to the main aromatic-aromatic interactions during the adsorption process and therefore were not sufficient to establish the energy hierarchy at the adsorbed state with increase in surface oxygen content. The same mechanism was previously ascribed to the adsorption of the structurally similar but bulkier tannic acid. Both water and benzoic acid were organized into numerous mobility groups and a correspondence was established between species residence time and the average translation time taken to escape the tube vicinity. Vigorous exchange of water molecules among the first adsorption shell, the second adsorption shell, and the immediate vicinity radially outside was estimated to take place within a short time of about 10 ps.

The effects of doping, hydrostatic pressure, and thermal quenching on the phase transitions and magnetocaloric properties of the Mn1−xCoxNiGe system have been investigated. Cobalt doping on the Mn site shifted the martensitic structural transition toward lower temperature until it was ultimately absent, leaving only a magnetic transition from a ferromagnetic (FM) to a paramagnetic (PM) state in the high-temperature hexagonal phase. Co-occurrence of the magnetic and structural transitions to form a first-order magnetostructural transition (MST) from the FM orthorhombic to the PM hexagonal phase was observed in samples with 0.05 < x < 0.20. An additional antiferromagnetic–ferromagnetic-like transition was observed in the martensite phase for 0.05 < x < 0.10, which gradually vanished with increasing Co concentration (x > 0.10) or magnetic field (H > 0.5 T). The application of external hydrostatic pressure shifted the structural transition to lower temperature until an MST was formed in samples with x = 0.03 and 0.05, inducing large magnetic entropy changes up to −80.3 J kg−1 K−1 (x = 0.03) for a 7-T field change under 10.6-kbar pressure. Similar to the effects of the application of hydrostatic pressure, an MST was formed near room temperature in the sample with x = 0.03 by annealing at high temperature (1200 °C) followed by quenching, resulting in a large magnetic entropy change of −56.2 J kg−1 K−1. These experimental results show that the application of pressure and thermal quenching, in addition to compositional variations, are effective methods to create magnetostructural transitions in the MnNiGe system, resulting in large magnetocaloric effects.