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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Creep fatigue life prediction for engine hot section materials (isotropic)

A series of high temperature strain controlled fatigue tests have been completed to study the effects of thermomechanical fatigue, multiaxial loading, reactive environments, and imposed mean stresses. The baseline alloy used in these tests was cast B1900+Hf (with and without coatings); a small number of tests of wrought INCO 718 are also included. A strong path dependence was demonstrated during the thermomechanical fatigue testing, using in-phase, out-phase, and non-proportional (elliptical and 'dogleg') strain-temperature cycles. The multiaxial tests also demonstrated cycle path to be a significant variable, using both proportional and non-proportional tension-torsion loading. Environmental screening tests were conducted in moderate pressure oxygen and purified argon; the oxygen reduced the specimen lives by two, while the argon testing produced ambiguous data. Both NiCoCrAlY overlay and diffusion aluminide coatings were evaluated under isothermal and TMF conditions; in general, the lives of the coated specimens were higher that those of uncoated specimens. Controlled mean stress TMF tests showed that small mean stress changes could change initiation lives by orders of magnitude; these results are not conservatively predicted using traditional linear damage summation rules. Microstructures were evaluated using optical, SEM and TEM methods.

Nelson, R. S.↗
DOE OSTI2023

Accelerated Synthesis of Ordered Mesoporous Carbons Using Plasma

Conventional ordered mesoporous carbon (OMC) production usually requires long processing times in the carbonization step to achieve desired temperatures through controlled ramps. To enable expedited materials discovery, developing advanced manufacturing capability with significantly improved throughput is highly desired. Current approaches for accelerating the synthesis of OMCs include using microwave and Joule heating. However, both methods rely on the introduction of additional components, such as microwave absorbers and electrically conductive agents, within the bulk materials to impart the ability to reach high carbonization temperatures. This work demonstrates accelerated synthesis and functionalization of OMCs through the use of a dielectric barrier discharge plasma, where carbonization can be accomplished within 15 min using 30 W plasma sources, representing more than an order of magnitude increase in polymer-to-carbon conversion kinetics compared to that of a traditionally pyrolyzed analogue. Particularly, the ability of performing rapid carbonization without the use of additional substrates within the OMC precursor systems is advantageous. A systematic investigation of how plasma power, time, and gas atmosphere impact the resulting OMC pore textures and properties is performed, demonstrating the broad applicability of plasma-enabled carbonization methods. Furthermore, we demonstrate that the plasma treatment strategy can be extended to incorporate heteroatoms into the carbon framework by introducing ammonia gas, resulting in OMCs with a nitrogen content up to 4.7 at %, as well as non-Pluronic templating systems for synthesizing OMC with pore sizes larger than 10 nm. As employing a plasma source for materials pyrolysis is an industrially relevant approach, our system can be extended toward scaled synthesis of OMCs with much faster production rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

A multi-zone muffle furnace design

A Multi-Zone Muffle-Tube Furnace was designed, built, and tested for the purpose of providing an in-house experience base with tubular furnaces for materials processing in microgravity. As such, it must not only provide the desired temperatures and controlled thermal gradients at several discrete zones along its length but must also be capable of sustaining the rigors of a Space Shuttle launch. The furnace is insulated to minimize radial and axial heat losses. It is contained in a water-cooled enclosure for purposes of dissipating un-wanted residual heat, keeping the outer surfaces of the furnace at a 'touch-safe' temperature, and providing a rugged housing. This report describes the salient features of the furnace, testing procedures and results, and concluding remarks evaluating the overall design.

Rowe, Neil D.↗
NASA NTRS2011

Advances in Solid State Joining of High Temperature Alloys

Many of the metals used in the oil and gas industry are difficult to fusion weld including Titanium and its alloys. Solid state joining processes are being pursued as an alternative process to produce robust structures more amenable to high pressure applications. Various solid state joining processes include friction stir welding (FSW) and a patented modification termed thermal stir welding (TSW). The configuration of TSWing utilizes an induction coil to preheat the material minimizing the burden on the weld tool extending its life. This provides the ability to precisely select and control the temperature to avoid detrimental changes to the microstructure. The work presented in this presentation investigates the feasibility of joining various titanium alloys using the solid state welding processes of FSW and TSW. Process descriptions and attributes of each weld process will be presented. Weld process set ]up and welding techniques will be discussed leading to the challenges experienced. Mechanical property data will also be presented.

Ding, Jeff↗
NASA NTRS1990

Thermomechanical deformation testing and modeling in the presence of metallurgical instabilities

A number of viscoplastic constitutive models were developed to describe deformation behavior under complex combinations of thermal and mechanical loading. Questions remain, however, regarding the validity of procedures used to characterize these models for specific structural alloys. One area of concern is that the majority of experimental data available for this purpose are determined under isothermal conditions. This experimental study is aimed at determining whether viscoplastic constitutive theories characterized using an isothermal data base can adequately model material response under the complex thermomechanical loading conditions typical of power generation service. The approach adopted was to conduct a series of carefully controlled thermomechanical experiments on a nickel-based superalloy, Hastelloy Alloy X. Previous investigations had shown that this material experiences metallurgical instabilities leading to complex hardening behavior, termed dynamic strain aging. Investigating this phenomenon under full thermomechanical conditions leads to a number of challenging experimental difficulties which up to the present work were unresolved. To correct this situation, a number of advances were made in thermomechanical testing techniques. Advanced methods for dynamic temperature gradient control, phasing control and thermal strain compensation were developed and incorporated into real time test control software. These advances allowed the thermomechanical data to be analyzed with minimal experimental uncertainty. The thermomechanical results were evaluated on both a phenomenological and microstructural basis. Phenomenological results revealed that the thermomechanical hardening trends were not bounded by those displayed under isothermal conditions. For the case of Hastelloy Alloy X (and similar dynamic strain aging materials), this strongly suggests that some form of thermomechanical testing is necessary when characterizing a thermoviscoplastic deformation model. Transmission electron microscopy was used to study the microstructural physics, and analyze the unique phenomenological behavior.

Castelli, Michael G.↗
NASA NTRS1992

An Automated Thermocouple Calibration System

An Automated Thermocouple Calibration System (ATCS) was developed for the unattended calibration of type K thermocouples. This system operates from room temperature to 650 C and has been used for calibration of thermocouples in an eight-zone furnace system which may employ as many as 60 thermocouples simultaneously. It is highly efficient, allowing for the calibration of large numbers of thermocouples in significantly less time than required for manual calibrations. The system consists of a personal computer, a data acquisition/control unit, and a laboratory calibration furnace. The calibration furnace is a microprocessor-controlled multipurpose temperature calibrator with an accuracy of +/- 0.7 C. The accuracy of the calibration furnace is traceable to the National Institute of Standards and Technology (NIST). The computer software is menu-based to give the user flexibility and ease of use. The user needs no programming experience to operate the systems. This system was specifically developed for use in the Microgravity Materials Science Laboratory (MMSL) at the NASA LeRC.

Bethea, Mark D.↗
NASA NTRS1995

Performance of the 0.3-meter transonic cryogenic tunnel with air, nitrogen, and sulfur hexafluoride media under closed loop automatic control

The NASA Langley 0.3-m Transonic Cryogenic Tunnel was modified in 1994, to operate with any one of the three test gas media viz., air, cryogenic nitrogen gas, or sulfur hexafluoride gas. This document provides the initial test results with respect to the tunnel performance and tunnel control, as a part of the commissioning activities on the microcomputer based controller. The tunnel can provide precise and stable control of temperature to less than or equal to +/- 0.3 K in the range 80-320 K in cyro mode or 300-320 K in air/SF6 mode, pressure to +/- 0.01 psia in the range 15-88 psia and Mach number to +/- O.0015 in the range 0.150 to transonic Mach numbers up to 1.000. A new heat exchanger has been included in the tunnel circuit and is performing adequately. The tunnel airfoil testing benefits considerably by precise control of tunnel states and helps in generating high quality aerodynamic test data from the 0.3-m TCT.

Balakrishna, S.↗
NASA NTRS2004

Mission Cycle Life Prediction for C/SiC Composites

The residual strength and life of C/SiC is dominated by carbon interface and fiber oxidation if thermal and mechanical stresses combine with thermal expansion mismatch in a manner such that seal coat and matrix cracks are open to allow oxygen ingress. Under these circumstances life can be predicted by simple oxidation based models based on reaction controlled kinetics at low temperature and gas phase diffusion controlled kinetics at high temperature. Key life governing variables in these models include temperature, applied stress, initial strength, oxygen partial pressure and total pressure. In this paper these models are described and extended to mission cycle life prediction.

Levine, Stanley R.↗
DOE OSTI2018

In situ X-ray characterization of uranium dioxide during flash sintering

The in situ response of stoichiometric and non-stoichiometric uranium dioxide during flash sintering is examined using high energy X-ray diffraction. Our results show that the onset of flash is driven by an increase in temperature and controlled by the applied field with no evidence of an accumulation of defects. The incubation time, that is the time after the application of the field before the flash occurs, is found to be material specific with hyper-stoichiometric samples requiring lower fields to flash. For low current/voltage fields we quantify very little change in the atomic and microstructure of the different uranium dioxide samples post-flash. Microstructural changes are identified for high fields and currents, where joule heating and sample temperatures are high, resulting in the complete transformation of the U 4 O 9 phase. Our results highlight the usefulness of high energy X-ray characterization in understanding the subtle structural changes that occur during the flash sintering process.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low-Temperature Annealing of Nanoscale Defects in Polycrystalline Graphite

Polycrystalline graphite contains multi-scale defects, which are difficult to anneal thermally because of the extremely high temperatures involved in the manufacturing process. In this study, we demonstrate annealing of nuclear graphite NBG-18 at temperatures below 28 °C, exploiting the electron wind force, a non-thermal stimulus. High current density pulses were passed through the specimens with a very low-duty cycle so that the electron momentum could mobilize the defects without heating the specimen. The effectiveness of this technique is presented with a significant decrease in electrical resistivity, defect counts from X-ray computed tomography, Raman spectroscopy, and nanoindentation-based mechanical characterization. Such multi-modal evidence highlights the feasibility of nanoscale defect control at temperatures about two orders of magnitude below the graphitization temperature.

Liu, Gongyuan↗
NASA NTRS1985

Effects of real-time thermal aging on graphite/polyimide composites

As part of a program to evaluate high-temperature advanced composites for use on supersonic cruise transport aircraft, two graphite/polyimide composites have been aged at elevated temperatures for times up to 5.7 years. Work on the first, HT-S/710 graphite/polyimide, was started in 1974. Evaluation of the second polyimide, Celion 6000/LARC-160, began in 1980. Baseline properties are presented, including unnotched and notched tensile data as a function of temperature, compression, flexure, shear, and constant-amplitude fatigue data at R = 0.1 and R = -1. Tensile specimens were aged in ovens where pressure and aging temperatures were controlled for various times up to and including 50,000 hours. Changes in tensile strength were determined and plotted as a function of aging time. The HT-S/710 composite aged at 450 F and 550 F if compared to the Celion 6000/LARC-160 composite aged at 350 F and 450 F. After tensile testing, many of the thermal aging specimens were examined using a scanning electron microscope. Results of these studies are presented, and changes in properties and degradation mechanisms during high-temperature aging are discussed and illustrated using metallographic techniques.

Haskins, J. F.↗
NASA NTRS2007

Development of a HTSMA-Actuated Surge Control Rod for High-Temperature Turbomachinery Applications

In recent years, a demand for compact, lightweight, solid-state actuation systems has emerged, driven in part by the needs of the aeronautics industry. However, most actuation systems used in turbomachinery require not only elevated temperature but high-force capability. As a result, shape memory alloy (SMA) based systems have worked their way to the forefront of a short list of viable options to meet such a technological challenge. Most of the effort centered on shape memory systems to date has involved binary NiTi alloys but the working temperatures required in many aeronautics applications dictate significantly higher transformation temperatures than the binary systems can provide. Hence, a high temperature shape memory alloy (HTSMA) based on NiTiPdPt, having a transformation temperature near 300 C, was developed. Various thermo-mechanical processing schemes were utilized to further improve the dimensional stability of the alloy and it was later extruded/drawn into wire form to be more compatible with envisioned applications. Mechanical testing on the finished wire form showed reasonable work output capability with excellent dimensional stability. Subsequently, the wire form of the alloy was incorporated into a benchtop system, which was shown to provide the necessary stroke requirements of approx.0.125 inches for the targeted surge-control application. Cycle times for the actuator were limited to ~4 seconds due to control and cooling constraints but this cycle time was determined to be adequate for the surge control application targeted as the primary requirement was initial actuation of a surge control rod, which could be completed in approximately one second.

Padula, Santo, II↗
NASA NTRSDate not supplied

Somatic Mutation in Mice on the International Space Station (ISS): Guanine Substitution Suggests Link to Cancer Risk

We conducted comprehensive analysis of single nucleotide somatic mutations in mice exposed to microgravity and other factors aboard the International Space Station (ISS), using data archived in GeneLab. Animals in the experimental cohort consisted of mice that spent 37 days on the ISS within the Rodent Habitat. Ground control animals consisted of mice of identical age, sex, strain, in a terrestrial Rodent Habitat controlled for temperature, humidity and carbon dioxide levels, to match ISS conditions as closely as possible. RNA extracted from eye, liver, skeletal muscle, and kidney tissue specimens was subjected to next-generation sequencing to acquire primary data. Our analysis employed cutting-edge software developed at NASA Ames Research Center, executed on the NASA Ames Supercomputer and on another high-performance computer, for accurate variant calling of single point mutations. ISS-flown mice exhibited a notably heightened level of somatic mutation compared to control mice. The degree of somatic mutation correlated with the degree of gene expression across the four tissue types, i.e., the greatest rate of mutation accumulation was seen in highly expressed genes. We discovered that guanine substitutions were the most common type of somatic mutation. This observation is consistent with the hypothesis that DNA mutation events stem from reactive oxygen/nitrogen/chlorine species-mediated guanine oxidation induced by the spaceflight environment. Since guanine oxidation is a prominent feature of the DNA mutation landscape that accompanies malignant transformation, our findings suggest a possible link between the spaceflight environment and cancer risk that is independent of radiation carcinogenesis.

ISS↗
DOE OSTI2026

Hydrological and Thermal Dynamics of a Supra‐Permafrost Subterranean Estuary

Subterranean estuaries (STEs), where groundwater interacts with seawater, influence surface and subsurface coastal ecology and biogeochemistry. In Arctic-STEs overlying permafrost, groundwater flow and heat transport determine the fate of organic matter. Yet, direct observations of groundwater flow and heat and solute transport processes in Arctic STEs remain limited. This study characterized groundwater flow paths and fluxes and heat transport within an Arctic-STE along Alaska's Beaufort Sea coast during thawing, summer, and freeze-up. Intertidal seabed temperature-depth profiles collected along a 10-m transect captured the active groundwater flow period, from thaw and flow onset in mid-June to freeze-up in late-September. During this period, aquifer geometry evolved non-uniformly due to spatially varying thaw rates across the STE (mean (m) thaw depths–beach: 0.25 to 0.55–0.6 m on 20 June, 25 July, 1 October; seabed: 0.6–0.9 m from 25 July to 1 October). Groundwater and surface water levels, salinity, and subsurface temperature profiles measured over tidal time scales were interpreted alongside groundwater flow-heat transport numerical simulations. Fresh groundwater discharge was sporadic during thawing (m: 0.32 m 3 /day/m), abundant in summer (m: 0.45 m 3 /day/m), and was largely absent during freeze-up. During freeze-up, groundwater flow was driven exclusively by seawater recirculation via tidal pumping (from thawing to summer to freeze-up: 0.00025–0.15–0.5 m3/day/m) and convection. Heat advection dominated near aquatic interfaces (shaping intertidal ice), and conduction controlled vertical temperature gradients in low-flow and unsaturated sediments. These findings will help predict how prolonged summers will alter Arctic-STE cryo-hydrology and biogeochemistry.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Rapid Fabrication of Carbide Matrix/Carbon Fiber Composites

Composites of zirconium carbide matrix material reinforced with carbon fibers can be fabricated relatively rapidly in a process that includes a melt infiltration step. Heretofore, these and other ceramic matrix composites have been made in a chemical vapor infiltration (CVI) process that takes months. The finished products of the CVI process are highly porous and cannot withstand temperatures above 3,000 F (approx.1,600 C). In contrast, the melt-infiltration-based process takes only a few days, and the composite products are more nearly fully dense and have withstood temperatures as high as 4,350 F (approx.2,400 C) in a highly oxidizing thrust chamber environment. Moreover, because the melt- infiltration-based process takes much less time, the finished products are expected to cost much less. Fabrication begins with the preparation of a carbon fiber preform that, typically, is of the size and shape of a part to be fabricated. By use of low-temperature ultraviolet-enhanced chemical vapor deposition, the carbon fibers in the preform are coated with one or more interfacial material(s), which could include oxides. The interfacial material helps to protect the fibers against chemical attack during the remainder of the fabrication process and against oxidation during subsequent use; it also enables slippage between the fibers and the matrix material, thereby helping to deflect cracks and distribute loads. Once the fibers have been coated with the interfacial material, the fiber preform is further infiltrated with a controlled amount of additional carbon, which serves as a reactant for the formation of the carbide matrix material. The next step is melt infiltration. The preform is exposed to molten zirconium, which wicks into the preform, drawn by capillary action. The molten metal fills most of the interstices of the preform and reacts with the added carbon to form the zirconium carbide matrix material. The zirconium does not react with the underlying fibers because they are protected by the interfacial material(s). The success of the melt-infiltration step depends on interface material selection and uniform coating of the fibers, infiltration with the correct amount of carbon, and careful control of temperature and rate of heating.

Williams, Brian E.↗
DOE OSTI2022

A Process with Decoupled Absorber Kinetics and Solvent Regeneration through Membrane Dewatering and In-Column Heat Transfer (Final Report)

This report summarizes the work conducted on project DE-FE0031604 where University of Kentucky Center for Applied Energy (UK CAER) has validated its intensified CO 2 capture process through substantial enhancements to the kinetics of the absorption process and energy reductions by absorber temperature profile modification, dewatering and heat integration technologies for achieving significant capital and operating cost reductions. To address DOE’s objective of improving post-combustion CO 2 capture technology and reducing associated cost, UK CAER employed an intensified process which combined three key aspects targeted at overcoming inherent limitations or barriers in the conventional CO 2 capture and desorption process. The process designed to be independent of the type of solvent used, included (1) the use of 3-D printed two-channel structured packing material to control the temperature profile and increase the CO 2 absorption rate in the absorber, (2) a zeolite membrane dewatering unit for dewatering of the carbon-rich solvent to decouple solvent concentration needs for CO 2 absorption and desorption, and (3) a rich-split feed with two-phase flow heat transfer prior to the stripper that provided a secondary point of vapor generation to provide energy savings in steam extraction and solvent regeneration. The project was executed over two budget periods. This involved testing of individual process components which included the advanced heat transfer packing and the dewatering membrane on UK CAER’s 30 liter per minute (L/min) CO 2 (3” Column) capture bench unit with simulated flue gas in the first budget period. Subsequent scaled-up testing of these components together with the split-feed configuration were also tested in UK CAER’s 0.1 MWth CO 2 capture unit with coal-derived flue gas in the second-budget period. Long term studies were done during this period to assess process and solvent performance over extended duration. Project partners Lawrence Livermore National Laboratory (LLNL) and Media & Process Technology (MPT) led the development efforts for the advanced packing material and dewatering membrane respectively. Data from the long term testing was used as input for an environmental, health and safety (EH&S) assessment for the process and scaled technology performed by ALL4 LLC. Trimeric Corporation also completed a techno-economic analysis (TEA) for the UK CAER technology which was compared to the DOE reference Case B12B. Tests on the 3” column capture unit showed that the advanced heat transfer packing could be used to lower the bulge temperature in the absorber, and this was also proven in the scaled testing in the 0.1 MWth CO 2 capture unit. The bulge temperature could be lowered by >10 °C, changing the temperature profile in the absorber, and showed potential to enhance absorption with the ability to tailor the profile to provide conditions suitable for a solvent’s properties and kinetics. Conditions for short term evaluation of a 19” zeolite dewatering membrane on the 3” column capture unit yielded desirable fluxes and sustained rejection rates of >80%. However, for the scaled testing of six membrane modules consisting of 21 parts of 31-inch-long membrane tubes in each bundle (surface area 0.3 m 2 ), over a more extended duration, similar rejection rates could not be achieved. With the split-feed of the rich stream to the stripper, improved heat recovery minimized waste heat exiting the top of the stripper. The stripper exhaust temperatures could be reduced by >10 °C; reducing the amount of water vaporization contributed to lowering the regeneration energy by ~ 15%. The energy benefit could be sustained from the long term monitoring of the solvent performance. The solvent properties were not significantly impacted over the long-term operations. The benefits of the UK CAER process demonstrated experimentally were mostly validated from the TEA comparing a commercial scale application of the technology to DOE reference Case B12B. The cost of CO 2 capture for the UK CAER technology was estimated to be ~$34.97/tonne of CO 2 captured; a reduction of 23% compared to Case B12B. The increase in cost of electricity was also shown to be 16% lower than that of Case B12B. The total parasitic demand was also shown to be 11% lower. The key drivers for the benefits are a result of the process intensification approaches employed in the UK CAER technology for enhanced solvent performance, effective heat recovery and improved energy performance. The EH&S assessment did not find any major environmental concerns or barriers to the full scale implementation of the technology.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1995

Estimating the urban bias of surface shelter temperatures using upper-air and satellite data. Part 1: Development of models predicting surface shelter temperatures

Multiple regression techniques were used to predict surface shelter temperatures based on the time period 1986-89 using upper-air data from the European Centre for Medium-Range Weather Forecasts (ECMWF) to represent the background climate and site-specific data to represent the local landscape. Global monthly mean temperature models were developed using data from over 5000 stations available in the Global Historical Climate Network (GHCN). Monthly maximum, mean, and minimum temperature models for the United States were also developed using data from over 1000 stations available in the U.S. Cooperative (COOP) Network and comparative monthly mean temperature models were developed using over 1150 U.S. stations in the GHCN. Three-, six-, and full-variable models were developed for comparative purposes. Inferences about the variables selected for the various models were easier for the GHCN models, which displayed month-to-month consistency in which variables were selected, than for the COOP models, which were assigned a different list of variables for nearly every month. These and other results suggest that global calibration is preferred because data from the global spectrum of physical processes that control surface temperatures are incorporated in a global model. All of the models that were developed in this study validated relatively well, especially the global models. Recalibration of the models with validation data resulted in only slightly poorer regression statistics, indicating that the calibration list of variables was valid. Predictions using data from the validation dataset in the calibrated equation were better for the GHCN models, and the globally calibrated GHCN models generally provided better U.S. predictions than the U.S.-calibrated COOP models. Overall, the GHCN and COOP models explained approximately 64%-95% of the total variance of surface shelter temperatures, depending on the month and the number of model variables. In addition, root-mean-square errors (rmse's) were over 3 C for GHCN models and over 2 C for COOP models for winter months, and near 2 C for GHCN models and near 1.5 C for COOP models for summer months.

Epperson, David L.↗
DOE OSTI2022

Solution-Grown Ternary Semiconductors: Nanostructuring and Stereoelectronic Lone Pair Distortions in I–V–VI 2 Materials

Alkali pnictogen dichalcogenides–I–V–VI 2 or APnCh 2 –have been identified as promising semiconducting materials for energy conversion devices. However, the controlled nanoscale synthesis and our understanding of the effects of cation ordering and stereochemically active lone pairs on the structures of these ternary compounds remain underdeveloped. Here, we use solution-phase chemistry to synthesize a family of APnCh 2 materials, including LiSbSe 2 , NaSbS 2 , NaSbSe 2 , NaBiS 2 , and NaBiSe 2 . Our approach utilizes alkali metal hydrides (AH) or carboxylates, A(O 2 CR), PnPh 3 , and elemental chalcogens as synthetic precursors and oleylamine or 1-octadecene as solvents. Synthetic manipulation via fine-tuning of reaction temperature enables control over the degree of ordering caused by the Sb 5s 2 lone pair-induced distortions in NaSbS 2 . Pair distribution function analysis demonstrates that the structure of the Sb-containing phases deviates much more from a disordered rock salt structure than that of the Bi-containing phases. This local distortion, induced by the Sb lone pair, leads to a previously unreported noncentrosymmetric NaSbS 2 crystal structure, which is additionally supported by second-harmonic generation measurements. Infrared and multinuclear solid-state NMR spectroscopies show that oleylamine or chelating carboxylates and, in some cases, unreacted precursors (LiH and PnPh 3 ) remain bound to the nanocrystalline surfaces. Further, a deeper understanding of the local atomic environment, long-range ordering, surface chemistry, and optoelectronic properties of these materials may speed up their fundamental study and application.

36 MATERIALS SCIENCE↗