Preferred Orientation Research Articles

Study of substrate dependent Microstructural properties of sputtered Mo/CZTS heterojunctions using X Ray Diffraction

Thin films of CZTS (Cu2ZnSnS4) were deposited using radiofrequency sputtering (RF) at varying sputtering powers on soda lime glass coated with molybdenum (Mo). Direct current (DC) sputtering was used to deposit Mo thin films at various sputtering powers. Rapid thermal processing (RTP) was employed to anneal the thin films that had been deposited at temperatures of 300, 400, and 500°C. X ray diffraction (XRD) technique was used to probe thin films structurally. The microstructural characteristics, such as crystallite size and microstrain, were calculated. These properties, particularly crystallite size and microstrain, are critical in future applications as an absorber layer in a thin film solar cell. A comprehensive comparative study has been carried out using Scherrer method, Williamson-Hall method, Halder-Wagner method, Size-Strain plot method, and Wagner-Aqua method. Crystallite size and microstrain obtained in this work shows strong dependence on preferential orientation of DC sputtered Mo base layer. Crystallite size, microstrain measured shows similar trends. Microstrain obtained exhibits systematic relationship with variation in deposition parameters of DC sputtered Mo thin films and RF sputtered CZTS thin films. This dependency of CZTS microstructural features on base layer Mo growth conditions can be used in the future to apply CZTS as a solar cell absorber layer.

A comparison of the effect of oxygen partial pressure on microstructural evolution of PAN fibers during industrial carbon fiber production line at different altitudes

Understanding and regulating the oxidative stabilization behavior of polyacrylonitrile (PAN) precursor fibers are critical subjects of high-performance carbon fiber production technologies. Here, we performed continuous stabilization and carbonization of PAN fibers at industrial carbon fiber production lines in different locales (different oxygen partial pressure in atmosphere), and investigated the microstructural evolution of the fibers with a systematically analysis at different stages. Influence of oxygen partial pressure in oxidative stabilization atmosphere on tensile modulus of the obtained carbon fibers was obvious. Oxygen diffused into PAN fibers during oxidative stabilization, more homogeneous and crosslinked structures generated under higher oxygen partial pressure atmosphere, and gave the stabilized fibers lower skin-core ratio. The graphite layers gradually generated in the subsequent carbonization stages, and the gathered graphite layers transformed into graphite microcrystalline, the wide-angle x-ray diffraction (WAXD) demonstrated that higher oxygen partial pressure conditions contributed to the generation of higher crystallite preferred orientation and bigger crystallite size, Raman spectroscopy also confirmed the obtained carbon fibers with higher oxygen partial pressure conditions possessed more ordered graphite structures. Thus, relatively higher oxygen partial pressure in air gave the stabilized fibers more crosslinked structures, and contributed to the formation of high-performance carbon fibers.

The Interplay between Dynamics and Structure on the Dielectric Tensor of Nanoconfined Water: Surface Charge and Salinity Effect.

Under confinement, the water dielectric constant is a second-order tensor with an abnormally low out-of-plane element. In our work, we investigate the dielectric tensor of an aqueous NaCl solution confined by a quartz slit-pore. The static dielectric constant is determined from local polarization density fluctuations via molecular dynamics simulations. In a pioneering investigation, we evaluate not only the effect of salinity but also surface charge. The parallel dielectric constant decreases with salinity due to dielectric saturation. From a dynamic perspective, the relaxation of water dipoles is slower within the hydration shells of ions. An anisotropic arrangement on the quartz surface results in preferred orientations of interfacial water molecules. By embedding charge, the surface structure changes, and extra dipole fluctuations in one direction may develop anisotropy in the parallel dielectric constant at the interface. Both surface charge and salinity increase the perpendicular dielectric constant. Nevertheless, the surface charge effect is more pronounced and may even recover the bulk dielectric constant value. The electric field established by the charged surface may disturb the planar hydrogen bond network at the interface, increasing out-of-plane dipolar fluctuations. Our work advances the knowledge of confined dielectric behavior, shedding light on the key role that charged surfaces play.

Asymmetric Pore Windows in Pillar-Layered Metal-Organic Framework Membranes for H2/CO2 Separation.

In this study, a novel ultramicroporous pillar-layered Ni-LAP-NH2 [Ni2(l-asp)2(Pz-NH2)] (l-asp = l-aspartic acid, Pz-NH2 = aminopyrazine) membranes on porous α-Al2O3 tubes with high performance and good thermal stability was first fabricated using isostructural Ni-LAP[Ni2(l-asp)2(Pz)] (Pz = pyrazine) crystals as seeds. Utilizing the principle of reticular chemistry, here, we introduced the active amino side group into the Ni-LAP frameworks by replacing the pillar-layered ligand Pz with Pz -NH2 while maintaining the original Ni-LAP small pore size, and the amino side group induced a "steric hindrance" effect and the physical adsorption affinity, which synergistically delayed CO2 penetration. It was found that the preferential (111) orientation Ni-LAP-NH2 membrane (Z10) exhibited a high H2/CO2 separation performance with a separation factor of 41.7 and H2 permeance of 9.08 × 10-8 mol·m-2·s-1·Pa-1 under optimal conditions. These MOF materials demonstrated potential for industrial H2 purification due to their tunable pore structure and remarkable stability. Moreover, this strategy offers an effective approach to tailoring pillar-layered MOF membranes with targeted molecular sieving ability.

Dual‐Site Anchors Enabling Vertical Molecular Orientation for Efficient All‐Perovskite Tandem Solar Cells

AbstractAll‐perovskite tandem solar cells (TSCs) are gaining increasing attention due to their potential to surpass the efficiency limit of single‐junction solar cells. However, as the bottom low‐bandgap subcells, tin‐lead (Sn‐Pb) perovskites suffer from severe nonradiative recombination at the interfaces due to their susceptibility to oxidation and poor crystalline morphology. Here a surface modifier 4‐(trifluoromethyl)benzhydrazide (TFH) is reported to construct a reductive chemical environment on the surface of perovskite films and protect them from water and oxygen erosion. TFH anchors onto the Sn‐Pb perovskites in a preferred vertical orientation through dual‐site binding, forming interface dipoles that facilitate charge extraction. The reductive hydrazine groups of TFH can effectively inhibit the oxidation of Sn2+ and I−, thereby reducing the defect density and energy disorder of Sn─Pb perovskites. Consequently, the TFH‐treated devices achieved a champion PCE of 22.88%, maintaining over 93% of the initial efficiency after continuous one‐sun illumination for 500 h. Combined with a 1.79 eV wide‐bandgap subcell, it has demonstrated a PCE of 28.17% in all‐perovskite TSCs.

Interdependence of Support Wettability ‐ Electrodeposition Rate‐ Sodium Metal Anode and SEI Microstructure

AbstractThis study examines how current collector support chemistry (sodiophilic intermetallic Na2Te vs. sodiophobic baseline Cu) and electrodeposition rate affect microstructure of sodium metal and its solid electrolyte interphase (SEI). Capacity and current (6 mAh cm−2, 0.5–3 mA cm−2) representative of commercially relevant mass loading in anode‐free sodium metal battery (AF‐SMBs) are analyzed. Synchrotron X‐ray nanotomography and grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) are combined with cryogenic ion beam (cryo‐FIB) microscopy. Highlighted are major differences in film morphology, internal porosity, and crystallographic preferred orientation e.g. (110) vs. (100) and (211) with support and deposition rate. Within the SEI, sodium fluoride (NaF) is more prevalent with Te−Cu versus sodium hydride (NaH) and sodium hydroxide (NaOH) with baseline Cu. Due to competitive grain growth the preferred orientation of sodium crystallites depends on film thickness. Mesoscale modeling delineates the role of SEI (ionic conductivity, morphology) on electrodeposit growth and onset of electrochemical instability.

Oriented triplex DNA as a synthetic receptor for transmembrane signal transduction.

Signal transduction across biological membranes enables cells to detect and respond to diverse chemical or physical signals, and replicating these complex biological processes through synthetic methods is of significant interest in synthetic biology. Here we present an artificial signal transduction system using oriented cholesterol-tagged triplex DNA (TD) as synthetic receptors to transmit and amplify signals across lipid bilayer membranes through H+-mediated TD conformational transitions from duplex to triplex. An auxiliary sequence, complementary to the third strand of the TD, ensures a controlled and preferred outward orientation of cholesterol-tagged TD on membranes. Upon external H+ stimuli, the conformational change triggers the translocation of the third strand from the outer to the inner membrane leaflet, resulting in effective transmembrane signal transduction. This mechanism enables fluorescence resonance energy transfer (FRET), selective photocleavage, catalytic signal amplification, and logic gate modulation within vesicles. Our findings demonstrate that these TD-based receptors mimic the functional dynamics of natural G protein-coupled receptors (GPCRs), providing a foundation for advanced applications in biosensing, cell signaling modulation, and targeted drug delivery systems.

Tetraoctylammonium Bromide Interlayer between NiLiOx and Perovskite for Light-Emitting Diodes.

Physical vapor deposition is a favorable technique for fabricating light-emitting diodes (LEDs) due to its scalability and reproducibility. However, the performances of LEDs fabricated via this method are worse than those prepared via solution processing owing to the generation of high defect densities. In this study, we introduce a layer of tetraoctylammonium bromide (TOABr), an interfacial-modification compound containing four long octyl chains that are symmetrically arranged around an N atom, to reduce nonradiative recombination and trap densities in CsPbBr3. We examined the impacts of adding TOABr on perovskite thin films deposited on hole injection layers made of Li-doped NiOx and poly(3,4-ethylenedioxythiophene)/polystyrenesulfonate. Our investigations reveal that TOABr addition slightly increases crystallinity, dramatically increases photoluminescence, and achieves the preferred orientation in the perovskite films. Additionally, the interfacial layer passivates defects and improves charge balance in the device, thereby enhancing performance. Consequently, perovskite LEDs with a TOABr layer exhibit a lower turn-on voltage of 3 V than their pristine counterparts, achieving a maximum luminance of 11,133 cd m-2 and an external quantum efficiency of 1.24%, whereas the pristine perovskite LEDs achieve an EQE of 0.015%. The approach proposed in this study can be used to fabricate efficient vacuum-thermal-evaporated perovskite LEDs.

Design and Corrosion Resistance Performance of Nano-Multilayer Coatings for the Protection of Breathing Gas Cylinders Used in Diving

Seamless gas cylinders for diving exhibit excellent low-temperature impact performance, lightweight characteristics, and good corrosion resistance, making them widely applicable in underwater activities. However, during use, the peeling of paint or corrosion on the surface of these cylinders poses a significant threat to their safety. In this study, environmentally friendly arc ion plating technology was used to deposit TiBN, CrAlN, and nano-multilayer coatings of CrAlN/TiBN. The surface morphology, tribological properties, and corrosion resistance of these coatings were investigated. The results indicated that both CrAlN and CrAlN/TiBN coatings possess fewer droplets, pinholes, and pits, and the cross-section of the CrAlN/TiBN coating exhibits a denser structure. The preferred orientation for TiBN was identified as TiB2 (101), while that for CrAlN was Cr(Al)N (200), with the preferred orientation for CrAlN/TiBN being TiB2 (101). The friction measurements revealed that the lowest coefficient was observed in the CrAlN/TiBN coating (0.489), followed by CrAlN (0.491) and then TiBN (0.642). Electrochemical tests conducted in artificial seawater demonstrated that the self-corrosion potential was highest for the CrAlN/TiBN coating, followed by CrAlN and lastly TiBN. The developed TiBN-based nano-multilayer coatings hold substantial application value in protecting seamless gas cylinders used in diving.

Clay alignment takes place during early stages of sedimentation

AbstractThe alignment of clay minerals in sediments is of high importance for their mechanical and physical properties. The development of this alignment starts with the deposition of clay, its strength is measured by the crystallographic preferred orientation. So far, the early stages of sedimentation have been restricted to post-mortem observations. Here we present particle settling experiments in four dimensions (time and orientation, as a function of overburden and composition) observed in situ using synchrotron diffraction, in which kaolinite and kaolinite-illite mixtures were sedimented in water columns. The alignment strength in freshly settled sediments increases with overburden, but is higher in deionized water than in seawater. Alignment strength increases within the first few millimetres of overburden and stagnates afterwards. With illite added, the resulting alignment strength is substantially decreased. Our results demonstrate that electrostatic interactions between particles are overcome by gravitational forces already within the upper millimetres of sediment.

Interdependence of Support Wettability - Electrodeposition Rate- Sodium Metal Anode and SEI Microstructure.

This study examines how current collector support chemistry (sodiophilic intermetallic Na2Te vs. sodiophobic baseline Cu) and electrodeposition rate affect microstructure of sodium metal and its solid electrolyte interphase (SEI). Capacity and current (6 mAh cm-2, 0.5-3 mA cm-2) representative of commercially relevant mass loading in anode-free sodium metal battery (AF-SMBs) are analyzed. Synchrotron X-ray nanotomography and grazing-incidence wide-angle X-ray scattering (GIWAXS) are combined with cryogenic ion beam (cryo-FIB) microscopy. Highlighted are major differences in film morphology, internal porosity, and crystallographic preferred orientation e.g. (110) vs. (100) and (211) with support and deposition rate. Within the SEI, sodium fluoride (NaF) is more prevalent with Te-Cu versus sodium hydride (NaH) and sodium hydroxide (NaOH) with baseline Cu. Due to competitive grain growth the preferred orientation of sodium crystallites depends on film thickness. Mesoscale modeling delineates the role of SEI (ionic conductivity, morphology) on electrodeposit growth and onset of electrochemical instability.

Magnetic Fabrics in Laminated Rocks of the Ilímaussaq Igneous Complex, Southern Greenland

ABSTRACT Nepheline syenites from the ∼1.2 Ga Ilímaussaq Complex of southern Greenland are examined to assess the utility of anisotropy of magnetic susceptibility (AMS) fabrics as proxies for silicate petrofabrics. Mineral lamination is a relatively common structural feature in cumulate rocks, including in the Ilímaussaq intrusion, but there is little consensus on the process (or processes) responsible for its formation. The Ilímaussaq AMS data are combined with rock magnetic experiments and electron backscatter diffraction (EBSD) measurements to characterize the magnetic mineralogy and compare the magnetic fabrics obtained to the silicate petrofabric. The data show that Na-amphibole (arfvedsonite) is most likely the dominant control on the AMS fabrics in the coarse-grained nepheline syenites (referred to as kakortokites), and that the AMS fabric is inverse relative to the observed silicate fabric. The EBSD data for a kakortokite sample suggests that the petrofabric is defined by arfvedsonite and is wholly planar, with evidence of only weak cross-lineation of c axes. The fine-grained nepheline syenites (lujavrites), two of which have a well-developed lamination carried by Na-pyroxene (aegirine), appear to have composite AMS fabrics that are considered to be a consequence of a mixed aegirine (normal) and arfvedsonite (inverse) response. The combined datasets shed light on the mechanisms of fabric acquisition in both lithologies. In the kakortokites, the AMS fabrics and silicate crystallographic preferred orientations, as well as the lack of observed microstructural evidence for subsolidus intra-crystal deformation, support models invoking gravitationally controlled crystal mats in the development of the macro-rhythmic layering of these rocks. In the lujavrites, the strong planar fabrics revealed by both the AMS and EBSD datasets, with some evidence of subsolidus deformation, point to fabric formation and perhaps even aegirine crystallization at the postcumulus stage. The combination of EBSD and AMS fabric datasets is a powerful means of deciphering the processes responsible for mineral alignment in igneous cumulates.

Depth Profiles of Crystallinity and Preferential Orientation and Surface Characteristics of Sputter‐Deposited CeO2 Thin Film Buffer Layers on Sapphire Substrates Evaluated Through Two‐Dimensional Grazing‐Incidence X‐Ray Diffraction

ABSTRACTTwo‐dimensional grazing‐incidence wide‐angle X‐ray diffraction data were acquired from CeO2 thin films serving as buffer layers on r‐cut sapphire substrates to investigate the depth profiles of crystallinity and preferential orientation as well as surface conditions. The thin film samples were sputter‐deposited under different conditions. Data were obtained at an X‐ray wavelength of 0.100 nm at 0.02° intervals from 0.06° to 0.30° at the grazing‐incidence angle. A 60‐nm‐thick CeO2 thin film sputter‐deposited under Ar (Ar‐60) and a 100‐nm‐thick CeO2 thin film sputter deposited using 10 vol.% O2 in Ar (O+Ar‐100) were found to have partially oriented three‐dimensional bulk crystal structures with preferential orientation in the (100) direction near the surface. The lattice constant for the Ar‐60 film was found to be approximately 0.30% smaller than that for a CeO2 standard, whereas the lattice constant for the O+Ar‐100 film was approximately 0.50% larger. Lattice mismatch between the CeO and CeO2 on the substrate surface is evidently not an issue based on the lattice constants near the surface. Hence, both films could be considered to represent optimal buffer layers for YBa2Cu3O6+δ thin film growth. However, even in the case of a CeO2 thin film suitable for use as a buffer layer, the difference in lattice constants between the interior and surface of an Ar‐60 film was found to be relatively small, whereas that for an O+Ar‐100 film was relatively large. These results show that it is important to analyze the film surface in detail by reducing the incidence angle to less than 0.1°.

CsPbIBr2 Thick Film With (100)‐Preferred Orientation Enables Highly Sensitive X‐Ray Detector by a Spray‐Coating Method via Dual‐Additive‐Assisted Solution Strategy under Atmospheric Environment

AbstractThe realization of large‐area high‐quality perovskite thick films under an atmospheric environment without humidity control is confronting an urgent challenge for the applications in X‐ray detection and imaging. A spray‐coating method with air as the gas carrier is employed to achieve large‐area perovskite thick films for X‐ray flat‐panel detection applications. To further improve the quality of the thick films, the 10 µm‐thick CsPbIBr2 films with (100)‐preferred orientation, low trap density (7.1 × 1012 cm−3) and high resistivity corresponding to low dark current (3.2 × 10−9 A) are prepared via dual‐additive‐assisted (NH4SCN and L‐α‐phosphatidylcholine (LP)) solution strategy under atmospheric environment with relative humidity of 60% (60% RH). Thus, the metal‐semiconductor‐metal‐structured (Au/CsPbIBr2/Au) transverse X‐ray detection device under 40 KeV X‐ray irradiation possesses a high sensitivity up to 1420 µC Gyair−1 cm−2 under a weak electric field of 18 V mm−1 and a low dose rate of 3.3 µGyair s−1 that is lower than a dose rate of ≈5.5 µGyair s−1 required for routine medical diagnosis. Strikingly, the unencapsulated device maintains 80% (1120 µC Gyair−1 cm−2) of the original sensitivity after 1000 h under the atmospheric environment with 45–55% RH. These results pave the way for the practical applications of perovskite thick films in X‐ray medical detection and imaging.

Investigating the Timing of Carbonate Precipitations and Their Potential Impact on Fossil Preservation in the Hell Creek Formation

Because fossilized skeletal remains and enclosing sedimentary rocks experience similar diagenetic conditions (i.e., temperature, pressure, and pore fluid interaction,) enclosing sedimentary rocks may provide insight into bone diagenesis. A fossil assemblage, including in situ dinosaur fossils, was discovered in Makoshika State Park near Glendive, MT. Fossil-bearing sandstone is a crevasse splay deposit, and fossils show no sorting or preferred orientation. Bone-bearing sandstone exhibits evidence for intense diagenesis, suggesting a maximum temperature of ~90 °C. Concretion associated with fossils includes two distinctive matrices: dark- and light-colored matrices. Another concretion was found in channel sandstone near the base of the outcrop. These carbonate phases have distinctive isotopic compositions; δ13C values for dark-colored matrices, light-colored matrices, and spheroidal concretion are −7.5, 2.1, and −22.4‰ (VPDB), respectively, and their δ18O values are 16.4, 25.9, and 17.8‰ (VSMOW), respectively. In contrast, fossilized bone δ13C and δ18O values were −4.4‰ (VPDB) and 20.6‰ (VSMOW), respectively, suggesting fractionation with pore fluid was limited. Early carbonate precipitation evidenced by grain coating may have reduced interaction between pore fluids and fossils. Although concretion formation and permineralization do not appear to directly aid in fossil preservation, concretions preserve valuable evidence for diagenetic history.

Effect of the Activator Type on the Microstructure and Properties of the Vanadizing Layer on the Surface of GCr15 Steel

This research aims to replace the activator NH4Cl in a vanadizing agent and reduce air pollution and harm to the human body. This study adopts powder pack cementation to prepare the vanadizing layer on the surface of GCr15 steel, focusing on the influence of the activator types (NH4Cl, CuCl, CuCl+Cr powder, and CuCl+Ni powder) on the structure and properties of the vanadizing layer on the surface of GCr15 steel. The results show that the vanadizing layer is prepared on the surface of GCr15 steel with different activators and that they are closely bonded to the matrix. The main phase composition of the vanadizing layer is VCx, and it has a preferred orientation on the (111) crystal surface. When the type of activator is NH4Cl, the prepared vanadizing layer has a lower friction factor. When the activator type is CuCl+Cr powder, the prepared vanadizing layer has less inclusions, the thickness of the vanadizing layer is the highest at 10.87 μm, and the hardness is the highest at 2331.7HV. Considering the thickness of the layer, the hardness, and the wear resistance, the best performance of the vanadizing layer was obtained when the activators were CuCl+Cr powder.

Effects of Nitrogen on Microstructure and Properties of SDSS 2507 Weld Joints by Gas Focusing Plasma Arc Welding.

Regulating the phase ratio between austenite and ferrite in welded joints is crucial for welding super duplex stainless steel. Nitrogen plays a significant role in maintaining an optimal phase ratio. In this study, the focusing gas channel of gas-focused plasma arc welding was utilized to introduce nitrogen into the arc plasma, which was then transferred to the weld pool. Experiments with and without nitrogen addition were designed and conducted to examine the effects of nitrogen on the microstructure and properties of SDSS 2507 weld joints. The results show that nitrogen addition increased the austenite content in the weld metal from 22.2% to 40.2%. Nitrogen also altered the microstructure of the austenite, changing it from thin grain boundary austenite and small intragranular austenite to a large volume of coarse, side-plate Widmanstätten austenite. The ferrite in the weld metal exhibited a preferred orientation during growth, while the austenite showed a disordered orientation. Additionally, the maximum texture intensity of the ferrite decreased with nitrogen addition. Nitrogen addition led to an increase in the microhardness of the austenite in the weld metal, attributed to the solid solution strengthening effect of nitrogen and increased dislocation tangling, while it decreased the microhardness of the ferrite. This study enhances the welding theory of 2507 super duplex stainless steel and guides the practical application of gas-focused plasma arc welding for 2507 super duplex stainless steel.

Microstructure and properties of superelastic Ti-18Zr-15Nb alloy subjected to combination of moderate/severe cold drawing and post-deformation annealing

Ti-18Zr-15Nb (at. %) shape memory alloy was subjected to a thermomechanical treatment (TMT), combining cold drawing (CD) with moderate (e = 0.5/1.1), and severe (e = 1.9/3.3) true strains, and post-deformation annealing (PDA) at 500-600 °C to fabricate a wire for medical application. The phase composition, microstructure, crystallographic texture, mechanical and functional properties were studied. The combination of cold drawing with true strain e = 0.5 and PDA at 550 °C for 5min showed remnants of the original deformed grains, inside of which there is apparently a polygonized substructure, and a partially recrystallized structure of β-phase with a low amount of α-phase (grain size of D≈8 μm). With an increase in true strain, annealing temperature and holding time, a fully recrystallized structure and grain growth were observed. After TMT including the moderate cold drawing, a crystallographic texture with preferable orientation in the <101>β direction was formed. As true strain increases to e = 1.9/3.3, the preferable orientation changes to the <210>β direction; the intensity of this crystallographic texture increases as the true strain increases. Maximum difference between the dislocation and transformation yield stresses was observed after CD with true strain e = 1.1 and PDA at 550 °C for 30min (Δσ ≈ 405MPa). Elongation to failure about 20% was observed after CD with a true strain of e = 0.5 and PDА at 600 °C for 30min (D≈15 μm). During superelastic cyclic testing with 4% applied strain after CD (e = 1.9-3.3) and PDA at 550 °C for 5-15min (D≈1-3 μm) the alloy exhibits high values of superelastic (εrse ≈ 1,8-2,1%) and total elastic+superelastic (εrel+se ≈ 3,3-3,5%) recovery strains as well as sufficient maximum tensile stress (σmax ≈ 441-472MPa), and accumulated residual strain (εacc ≈ 0.4-0.7%).

Influence of growth temperature on the structural and optical characteristics of PbZnS thin films

Ternary thin films have garnered significant attention due to their adjustable band gap characteristics, making them suitable for many applications. In this research, we examined the structural and optical characteristics of PbZnS thin films fabricated onto glass substrates employing the spray pyrolysis techniuqe. The films were fabricated at different temperatures ranging from 300 to 400°C. X-ray diffraction (XRD) analysis indicated that all films displayed a cubic structure with a preferred orientation along the (200) plane. From the analysis of XRD peaks, it was observed that the crystal structure initially improved with increasing temperature but then began to degrade. These films demonstrated strong absorption in the range of 350–1600 nm. The optical bandgap (Eg) values, calculated based on the relationship between the absorption coefficient and photon energy, showed slight variations around 2 eV. Notably, the band gap decreased with growth temperatures up to 350°C, then increased at higher temperatures. These fluctuations are attributed to factors such as thermal expansion, strain, defects, surface/interface effects, and changes in doping or composition.

Design and fabrication of tetradymites-based vertically oriented single and multilayer thin-film thermoelectric generators

Tetradymites-based thermoelectric materials and devices have received renewed attention due to their engineering and design flexibility, large scalability, and commercial viability in producing electricity from waste heat for niche applications in small power generation and micro refrigeration. In fact, most commercially available bulk thermoelectric generators (TEGs) are made from tetradymites. In contrast to their bulk counterparts, thin-film vertical TEGs have not been widely adopted. This can be attributable to complexities in design and fabrication methodologies, device measurement challenges, and the hurdle of maintaining a large enough temperature gradient for optimal device performance. In this study, we utilize a facile approach for the design, fabrication, and characterization of tetradymite-based n-type Bi2Te3 and p-type Sb2Te3 single-layer thermoelectric generators, as well as n-type Bi2Te3/Bi2Te2.83Se0.17 and p-type Sb2Te3/Bi0.4Sb1.6Te3 alternating multilayer superlattice TEGs. State-of-the-art characterization techniques were employed to investigate the structural, chemical, and thermoelectric properties of the materials. XRD analysis showed a preferential orientation along the (100) plane with a high intensity peak at 2θ = 25.5°, and XPS spectra exhibited a high-resolution peak at 531.5 eV corresponding to the Bi 4f7/2 core level. The structural data analysis confirmed the dominant metallic phase of the materials as well as their high crystalline nature. Device characterization showed that the multilayer device performed better than the single-layer devices with a recorded voltage, power, and power density of 11 mV, 12 pW, and 15.87 mW/m3 at ΔT = 18 °C, respectively, in comparison to 9.4 mV, 7.8 pW, and 10.31 mW/m3 for the most performing single-layer devices.