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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Switching interlayer magnetic order in bilayer CrI 3 by stacking reversal

CrI 3 , a hot two-dimensional (2D) magnet, exhibits complex magnetism depending on the number of layers and interlayer stacking patterns. For bilayer CrI 3 , the interlayer magnetism can be tuned between ferromagnetic (FM) and antiferromagnetic (AFM) order by manipulating the stacking order. However, the stacking is mostly modified through translation between the layers, while the effect of rotation between the layers on the interlayer magnetic order has not yet been fully investigated. Here, we considered three energetically stable stacking patterns R$\bar3$ with combining macron], C2/m and AA in bilayer CrI 3 , and their reversed counterparts R$\bar3$ with combining macron]-r, C2/m-r and AA-r through rotating one layer by 180° with respect to the other layer. Our first-principles calculations suggest that the interlayer magnetic ground state can be switched from AFM to FM (or FM to AFM) by reversing the stacking pattern. A detailed microscopic analysis was carried out by magnetic force theory calculations on C2/m stacking which favors AFM and C2/m-r stacking which favors FM. The interlayer magnetic interactions and the origin of the magnetic order change were revealed through specific orbital analysis. Our work demonstrates that stacking rotation can also tune the interlayer magnetism of CrI 3 and provides insight into its interlayer magnetic properties at the microscopic level.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A rhamnose-rich O-antigen of Paraburkholderia phymatum MP20 is required for symbiosis with Mimosa pudica

Paraburkholderia phymatum, a β-proteobacterium, forms a nitrogen-fixing symbiosis with many species of the large legume genus Mimosa as well as with common bean (Phaseolus vulgaris L.). Paraburkholderia are considered to have evolved nodulation independently from the well-studied α-proteobacteria symbionts of legumes. However, the detailed mechanisms important for β-rhizobia-legume symbiosis have not yet been determined. In this manuscript, we have sequenced the genome of P. phymatum MP20, a strain isolated from Mimosa pudica nodules, and utilized transposon mutagenesis to identify a mutant that showed delayed and ineffective nodulation of M. pudica. Further analysis revealed that the mutant strain produced an altered lipopolysaccharide lacking rhamnose containing O-antigen. Complementation with the wild-type gene restored the symbiosis. Microscopic analysis of the ineffective nodules showed that the mutant strain did not infect the cortical cells but was restricted to the endodermis. The results suggest that the O-antigen of P. phymatum is important for the bacterial infection of cortical cells and for nodule maturation. Further research will unveil the specific involvement of the glycosyltransferase gene in LPS biosynthesis and its impact on successful nodule formation by P. phymatum.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Dust Samples Collected from an Inland ISFSI Site (Site A)

In September of 2020, dust samples were collected from the surface of spent nuclear fuel (SNF) dry storage canisters during an inspection at an inland Independent Spent Fuel Storage Installation. The purpose of the sampling was to assess the composition and abundance of the soluble salts present on the canister surface, information which provides a metric for potential corrosion risks. The samples were delivered to Sandia National laboratories for analysis. At Sandia, the soluble salts were leached from the dust and quantified by ion chromatography. In addition, subsamples of the dust were taken for scanning electron microscope analysis to determine the texture and mineralogy of the dust and salts. The results of those analyses are presented in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of Al-Cu-Mg-Ag Alloy RX226-T8 Plate

Aluminum-copper-magnesium-silver (Al-Cu-Mg-Ag) alloys that were developed for thermal stability also offer attractive ambient temperature strength-toughness combinations, and therefore, can be considered for a broad range of airframe structural applications. The current study evaluated Al-Cu-Mg-Ag alloy RX226-T8 in plate gages and compared performance with sheet gage alloys of similar composition. Uniaxial tensile properties, plane strain initiation fracture toughness, and plane stress tearing resistance of RX226-T8 were examined at ambient temperature as a function of orientation and thickness location in the plate. Properties were measured near the surface and at the mid-plane of the plate. Tensile strengths were essentially isotropic, with variations in yield and ultimate tensile strengths of less than 2% as a function of orientation and through-thickness location. However, ductility varied by more than 15% with orientation. Fracture toughness was generally higher at the mid-plane and greater for the L-T orientation, although the differences were small near the surface of the plate. Metallurgical analysis indicated that the microstructure was primarily recrystallized with weak texture and was uniform through the plate with the exception of a fine-grained layer near the surface of the plate. Scanning electron microscope analysis revealed Al-Cu-Mg second phase particles which varied in composition and were primarily located on grain boundaries parallel to the rolling direction. Fractography of toughness specimens for both plate locations and orientations revealed that fracture occurred predominantly by transgranular microvoid coalescence. Introduction High-strength, low-density Al-Cu-Mg-Ag alloys were initially developed to replace conventional 2000 (Al-Cu-Mg) and 7000 (Al-Zn-Cu-Mg) series aluminum alloys for aircraft structural applications [1]. During the High Speed Civil Transport (HSCT) program, improvements in thermal stability were demonstrated for candidate aircraft wing and fuselage skin materials through the addition of silver to Al-Cu-Mg alloys based on Al 2519 chemistry [2]. Thermal stability of the resulting Al-Cu-Mg-Ag alloys, C415-T8 and C416-T8, was due to co-precipitation of the thermally stable . (AlCu) and ' (Al2Cu) strengthening phases [1-4]. The strength and toughness behavior was investigated for these alloys produced as 0.090-inch thick rolled sheet in the T8 condition and after various thermal exposures. The mechanical properties were shown to be competitive with conventional aircraft alloys, 2519-T8 and 2618-T8 [2]. During the Integral Airframe Structure (IAS) program, advanced aluminum alloys were examined for use in an integrally stiffened airframe structure where the skin and stiffeners would be machined from plate and extruded frames would be mechanically attached (see Figure 1) [5]. Advantages of integrally stiffened structure include reduced part count, and reduced assembly times compared to conventional built-up airframe structure. The near-surface properties of a thick plate are of significance for a machined integrally stiffened airframe structure since this represents the skin location. Properties measured at the mid-plane of the plate are more representative of the stiffener web. RX226 was developed to exploit strength-toughness improvements and thermal stability benefits of Al-Cu-Mg-Ag alloys in plate gages. This study evaluated the microstructure and properties of three gages of plate produced in the T8 condition.

Lach, Cynthia L.↗

A Materials Compatibility and Thermal Stability Analysis of Common Hydrocarbon Fuels

A materials compatibility and thermal stability investigation was conducted using five common liquid hydrocarbon fuels and two structural materials. The tests were performed at the NASA Glenn Research Center Heated Tube Facility under environmental conditions similar to those encountered in regeneratively cooled rocket engines. Scanning-electron microscopic analysis in conjunction with energy dispersive spectroscopy (EDS) was utilized to characterize the condition of the tube inner wall surface and any carbon deposition or corrosion that was formed during selected runs. Results show that the carbon deposition process in stainless steel tubes was relatively insensitive to fuel type or test condition. The deposition rates were comparable for all fuels and none of the stainless steel test pieces showed any signs of corrosion. For tests conducted with copper tubing, the sulfur content of the fuel had a significant impact on both the condition of the tube wall and carbon deposition rates. Carbon deposition rates for the lowest sulfur fuels (2 ppm) were slightly higher than those recorded in the stainless steel tubes with no corrosion observed on the inner wall surface. For slightly higher sulfur content (25 ppm) fuels, nodules that intruded into the flow area were observed to form on the inner wall surface. These nodules induced moderate tube pressure drop increases. The highest sulfur content fuels (400 ppm) produced extensive wall pitting and dendritic copper sulfide growth that was continuous along the entire tube wall surface. The result of this tube degradation was the inability to maintain flow rate due to rapidly increasing test section pressure drops. Accompanying this corrosion were carbon deposition rates an order of magnitude greater than those observed in comparable stainless steel tests. The results of this investigation indicate that trace impurities in fuels (i.e. sulfur) can significantly impact the carbon deposition process and produce unacceptable corrosion levels in copper based structural materials.

Meyer, M. L.↗

Detection and Location of Transverse Matrix Cracks in Cross-Ply Gr/Ep Composites Using Acoustic Emission

Transverse matrix cracking in cross-ply gr/ep laminates was studied with advanced acoustic emission (AE) techniques. The primary goal of this research was to measure the load required to initiate the first transverse matrix crack in cross-ply laminates of different thicknesses. Other methods had been previously used for these measurements including penetrant enhanced radiography, optical microscopy, and audible acoustic microphone measurements. The former methods required that the mechanical test be paused for measurements at load intervals. This slowed the test procedure and did not provide the required resolution in load. With acoustic microphones, acoustic signals from cracks could not be clearly differentiated from other noise sources such as grip damage, specimen slippage, or test machine noise. A second goal for this work was to use the high resolution source location accuracy of the advanced acoustic emission techniques to determine whether the crack initiation site was at the specimen edge or in the interior of the specimen.In this research, advanced AE techniques using broad band sensors, high capture rate digital waveform acquisition, and plate wave propagation based analysis were applied to cross-ply composite coupons with different numbers of 0 and 90 degree plies. Noise signals, believed to be caused by grip damage or specimen slipping, were eliminated based on their plate wave characteristics. Such signals were always located outside the sensor gage length in the gripped region of the specimen. Cracks were confirmed post-test by microscopic analysis of a polished specimen edge, backscatter ultrasonic scans, and in limited cases, by penetrant enhanced radiography. For specimens with three or more 90 degree plies together, there was an exact 1-1 correlation between AE crack signals and observed cracks. The ultrasonic scans and some destructive sectioning analysis showed that the cracks extended across the full width of the specimen. Furthermore, the locations of the cracks from the AE data were in excellent agreement with the locations measured with the microscope. The high resolution source location capability of this technique, combined with an array of sensors, was able to determine that the cracks initiated at the specimen edges, rather than in the interior. For specimens with only one or two 90 degree plies, the crack-like signals were significantly smaller in amplitude and there was not a 1-1 correlation to observed cracks. This was similar to previous results. In this case, however, ultrasonic and destructive sectioning analysis revealed that the cracks did not extend across the specimen. They initiated at the edge, but did not propagate any appreciable distance into the specimen. This explains the much smaller AE signal amplitudes and the difficulty in correlating these signals to actual cracks in this, as well as in the previous study.

Prosser, W. H.↗

Proteomic Characterization of Damaged Single Hairs Recovered after an Explosion for Protein-Based Human Identification

Evidence recovery is challenging where an explosion has occurred. Though hair evidence may be sufficiently robust to be recovered at the site, forensic analysis underutilizes the matrix by relying on morphological analysis. Where DNA is compromised, particularly in hair, protein-based human identification presents a promising alternative. Detection of amino acid polymorphisms in hair proteins as genetically variant peptides (GVPs) permits the inference of individualizing single nucleotide polymorphisms for identification. However, an explosive blast may damage hair proteins and compromise GVP identification. This work evaluates effects of an explosive blast on the hair proteome and GVP identification, investigates microscopy as a predictor of proteome profiling success in recovered hairs to improve analysis throughput, and quantifies discriminative power in damaged hairs. The proteomics dataset has been deposited into the ProteomeXchange Consortium (PXD017427). With the exception of degradation in keratins K75, K80, K40, and keratin-associated protein KAP10-11 as markers of hair cuticular damage, corroborated by scanning electron microscopic analysis, minimal hair proteome degradation following explosion allowed successful proteome profiling of single hairs regardless of morphological damage. Finally, GVP identification remained independent of explosion conditions, permitting similar discriminative power between exploded and undamaged hairs. These findings lend greater confidence to GVP analysis in one-inch hairs for forensic identification and provide information about hair protein localization.

59 BASIC BIOLOGICAL SCIENCES↗

Microbial Characterization of Free Floating Condensate Aboard the Mir Space Station

Three samples of humidity condensate that had accumulated behind panels aboard the Russian space station Mir were collected and returned to earth for analysis. As these floating masses of liquid come into contact with the astronauts and the engineering systems, they have the potential to affect both crew health and systems performance. Using a combination of culturing techniques, a wide variety of organisms were isolated included Escherichia coli, Serratia marcescens, and a presumed Legionella species. In addition, microscopic analysis indicated the presence of protozoa, dust mites, and spirochetes. These findings suggest the need for more comprehensive microbial analysis of the environment through the use of new methodologies to allow a more thorough risk assessment of spacecraft. Copyright 2004 Springer-Verlag.

Spacecraft↗

Understanding polaronic transport in complex oxides by combining precise synthesis and first-principles many-body theory

In complex oxides, charge carriers often couple strongly with lattice vibrations to form polarons–entangled electron–phonon quasiparticles whose transport properties remain difficult to characterize. Experimental access to intrinsic polaronic transport requires ultraclean samples, while theoretical description demands methods beyond low-order perturbation theory. Here, we show a predictive theory–experiment workflow to study polaron transport in complex oxides. Focusing on a prototypical polaronic oxide, anatase TiO 2 , we combine growth of high-quality oxygen-vacancy-doped films using hybrid molecular beam epitaxy with a first-principles electron–phonon diagrammatic Monte-Carlo (FEP-DMC) framework recently developed for accurate polaron predictions. Our films exhibit record-high electron mobility for anatase TiO 2 , in excellent agreement with FEP-DMC calculations conducted prior to experiment, which predict a room-temperature mobility of 45 ± 15 cm −2 V −1 s −1 and a mobility-temperature scaling of μ ∝ T −1.9 ± 0.077 . Microscopic analysis using scanning transmission electron microscopy and x-ray photoelectron spectroscopy reveals the role of oxygen vacancies in modulating transport at lower temperatures. FEP-DMC further provides quantitative insight into polaron formation energy, phonon cloud distribution, lattice distortion around the polaron, and the polaronic contribution to mobility. Together, these results provide a deeper microscopic understanding of large-polaron transport in a complex oxide and provide the blueprint to characterize other polaronic materials.

anatase TiO2↗

Analysis of suspended solids by single-particle scattering

Light scattering by individual particulates is used in a multiple-detector system to categorize the composition of suspended solids in terms of broad particulate categories. The scattering signatures of red clay and taconite tailings, the two primary particulate contaminants in western Lake Superior, along with two types of asbestiform fibers, amphibole and chrysolite, were studied in detail. A method was developed to predict the concentration of asbestiform fibers in filtration plant samples for which electron microscope analysis was done concurrently. Fiber levels as low as 50,000 fibers/liter were optically detectable. The method has application in optical categorization of samples for remote sensing purposes and offers a fast, inexpensive means for analyzing water samples from filtration plants for specific particulate contaminants.

Diehl, S. R.↗

Evolving physical and mechanical rock properties during exposure at Earth's surface

Rocks at Earth's surface experience progressive damage due to exposure to environmental conditions. Although environmental damage to rocks is recognized as being time-dependent, our quantitative understanding of its effects on physical and mechanical properties remains limited by field and laboratory studies constrained to short timescales. In this study, we aim to rigorously quantify how these properties evolve under longer natural environmental exposure spanning from the Holocene to the late Pleistocene. We conducted a ‘time series’ analysis of key physical and mechanical rock properties using multiple interior samples from 10 cogenetic granitoid boulders exposed for different amounts of time at two sites in Eastern California, USA. We find that over the late Pleistocene (~30 ka), rocks exhibit porosity increases of 40 ± 4 % and seismic velocity decreases of 7 ± 1 % at both sites. Similarly, over the same time period, rock tensile and compressive strengths declined by an average of 11 ± 4 %, and rock permeability increased on average by 104 ± 50 %. Microscopic analysis of thin sections of the same rocks indicates that microfracture density and intensity also progressively increased over the same timescales. These results suggest that time-dependent fracture propagation due to environmental exposure is likely a central contributor to the observed changes in rock properties. This study provides quantitative documentation that pronounced changes in the physical and mechanical properties of rock progressively occur within thousands of years of exposure.

Critical zone↗

Imaging and Analysis of Insoluble Electrorefiner Material

Throughout pyroprocessing efforts at the Hot Fuel Examination Facility (HFEF), insoluble material has accumulated in the Electrorefiner (ER) vessel. The objective of this effort was to analyze the accumulated material to determine its origin. Material was removed from the ER salt bath and distilled to remove excess salt prior to performing analysis. Three samples were sent for chemical and isotopic analysis and underwent an ethyl acetate-bromine dissolution to segregate the oxide fraction from the metal fraction. Actinide concentrations were determined using a quadrupole–inductively coupled plasma–mass spectrometer (Q-ICP-MS). Three additional samples were sent for morphologic and elemental analysis by scanning electron microscopy (SEM) with Energy Dispersive X-ray (EDX) analysis at the Irradiated Materials Characterization Laboratory (IMCL). Analyses suggest that the material is primarily composed of UO2. with a small fraction of metal. This study draws no single conclusion as to the origin of the insoluble material in the ER. The particle sizes and morphologies observed in SEM micrographs indicate that the larger particles observed may be a result of introducing material to the ER that has not been completely reduced in Oxide Reduction (OR) operations, which precede electrorefining. Smaller particles may be due to reactions with oxygen and moisture present in HFEF. This research suggests that microscopic analysis of fuel particles before and after OR operations (including after distillation) as well as the uranium product collected on the cathode in the ER would increase understanding about particle morphology within the pyrochemical process.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Editors’ Choice—Examining Performance and Durability of Anion Exchange Membrane Fuel Cells with Novel Spirocyclic Anion Exchange Membranes

A series of spirocyclic copolymer membranes with varying ion exchange capacities (IECs) were investigated to probe the impact of polymer properties on in situ fuel cell performance and stability. In-situ electrochemical tests and post-mortem electron microscopy analysis of cross-sectioned membrane electrode assemblies (MEAs) have been combined with voltage loss breakdown analysis to evaluate the performance and degradation of different MEAs, and to probe the catalyst morphology and electrode structure at different stages of operation. Voltage loss breakdown results show that membrane degradation and kinetic losses played only a minor role in observed performance degradation and that performance losses were primarily related to increasing mass transport losses. From microscopy studies, carbon corrosion and Pt nanoparticle growth were identified at both the cathode and anode although more pronounced on the cathode resulting in significant structural changes. The membrane with the lowest IEC (1.3 mmolg −1 ) demonstrated the lowest peak power density ~ 1.16 W cm −2 , however, it showed the most stable performance (constant 0.6 A cm −2 hold) with ~ 5% degradation over 540 h. Isolation of performance losses and microscopic analysis of electrodes for anion exchange membrane fuel cells has not been reported previously, and these results help identify critical performance degradation concerns.

25 ENERGY STORAGE↗

Sensitization and Mechanical Response of Cu‐Containing Steel Rods

The iron and steel manufacturing sector significantly adds to global greenhouse gas emissions, caused primarily by the carbothermic reduction of iron ore. Recycling scrap steel offers an effective decarbonization strategy but introduces impurities like copper (Cu) that can negatively impact mechanical properties. This study investigates the effects of Cu content and heat treatment on the mechanical performance and sensitization of steel wire rods for tire manufacturing. Steel rods with 0.04 and 0.21 wt% Cu are heated to 1050 or 1200 °C, then air quenched, or furnace cooled. Tensile testing coupled with microscopic analysis is used to evaluate mechanical properties and assess the sensitization effects. Higher Cu content leads to larger sensitized zones with increased Cu precipitation along grain boundaries. Ductility and toughness, crucial for wire drawability, are found to be reduced, despite higher ultimate strength. Slower furnace cooling is seen to result in smaller sensitized zones compared to air quenching, suggesting a pivotal role of cooling rate in sensitization control. The findings provide insights into optimize heat treatment parameters and Cu content limits, balancing mechanical performance and maintaining drawability for enhanced scrap steel recycling in tire production.

copper↗

Microstructure development and properties of micro-alloyed copper, Cu-0.3Zr-0.15Ag, produced by electron beam additive manufacturing

A micro-alloyed copper powder, Cu-0.3Zr-0.15Ag wt.%, was produced using gas atomization reaction synthesis. Zirconium was added to copper to sequester the oxygen present as copper oxide surface films on the powder particles. The as-received powders, as well as the intentionally oxidized powders were used to fabricate solid test articles by electron beam powder bed fusion additive manufacturing. Dense samples fabricated from as-received powder demonstrated nominal UTS, yield, and elongation values at 260 MPa, 150 MPa, and 34%, respectively. The average electrical conductivity of these samples was measured at 95% of the international annealed copper standard (IACS). Samples fabricated from the oxidized powder exhibited nominal UTS, yield, and elongation of 241 MPa, 146 MPa, and 43%, respectively, with an electrical conductivity of 95 % IACS. During characterization, it was observed that, rather than forming nano-scale dispersoids, the Zirconia (ZrO 2 ) appeared as discontinuous stringers in the metallographic cross-sections that crossed grain and melt pool boundaries. This was rationalized by tracing the presence of the micro-alloying addition of elemental zirconium, which was found to react with surface oxides dissociated in the melt pool to form ZrO 2 , which then solidified on the surface of the melt pool through an allotropic transformation to monoclinic ZrO 2 in discontinuous films and spheroids ranging in size from nanometers to microns. This was confirmed by microscopic analysis of the tops of the melt pools. On subsequent melt passes, these ZrO 2 structures were displaced and redistributed within the melt pool.

36 MATERIALS SCIENCE↗

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗

Noonan syndrome patient-specific induced cardiomyocyte model carrying SOS1 gene variant c.1654A>G

Noonan syndrome (NS) is a dominant autosomal genetic disorder, associated with mutations in several genes that exhibit multisystem abnormal development including cardiac defects. NS associated with the Son of Sevenless homolog 1 (SOS1) gene mutation attributes to the development of cardiomyopathy and congenital heart defects. Since the treatment option for NS is very limited, an in vitro disease model with SOS1 gene mutation would be beneficial for exploring therapeutic possibilities for NS. We reprogrammed cardiac fibroblasts obtained from a NS patient and normal control skin fibroblasts (C-SF) into induced pluripotent stem cells (iPSCs). We identified NS-iPSCs carry a heterozygous single nucleotide variation in the SOS1 gene at the c.1654A > G. Furthermore, the control and NS-iPSCs were differentiated into induced cardiomyocytes (iCMCs), and the electron microscopic analysis showed that the sarcomeres of the NS-iCMCs were highly disorganized. FACS analysis showed that 47.5% of the NS-iCMCs co-expressed GATA4 and cardiac troponin T proteins, and the mRNA expression levels of many cardiac related genes, studied by qRT-PCR array, were significantly reduced when compared to the control C-iCMCs. We report for the first time that NS-iPSCs carry a single nucleotide variation in the SOS1 gene at the c.1654A>G were showing significantly reduced cardiac genes and proteins expression as well as structurally and functionally compromised when compared to C-iCMCs. These iPSCs and iCMCs can be used as a modeling platform to unravel the pathologic mechanisms and also the development of novel drug for the cardiomyopathy in patients with NS.

60 APPLIED LIFE SCIENCES↗

Lattice-Mismatched van der Waals Epitaxy and Photoluminescence of Two-Dimensional GaxIn1-xSe Alloys on Si(111)

GaxIn1-xSe (GIS) alloys are two-dimensional (2D) layered materials with band gaps and lattice parameters of interest for many energy and electronic applications. They can be fabricated using van der Waals epitaxy, which is an emerging technique that offers unprecedented opportunities for 2D optoelectronic devices and epitaxy processes. This work has demonstrated van der Waals epitaxy of GIS alloys for the first time. Films with x compositions of 0, 0.062, 0.164, 0.680, 0.894, and 1 and tunable lattice constants were grown on Si(111) substrates, and characterized by X-ray diffraction pole figure and transmission electron microscope analysis. In spite of the lattice mismatches (InSe is 4.1% too large and GaSe is 2.8% too small), these alloys grow epitaxially, with Si(111) || GIS(001) and Si[1-10] || GIS[100] orientation. Photoluminescence was used to measure tunable band gaps in the absorber-relevant 1.3-2.0 eV range as a function of x composition and showed GIS did not degrade after capping with Se and prolonged storage. Therefore, GIS alloys exhibit a technologically advantageous combination of tunable band gap and photoluminescence with relaxed lattice parameter and rotational registry with the substrate.

36 MATERIALS SCIENCE↗