Search NASA⌕ Search

SEARCH · Search NASA

Results for “Gas sensor”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Systematic Characterization on Optical and Phonon Properties of Cs[Pb x Sn 1– x ]I 3 Alloyed Perovskites via First-Principles Modeling

Here, understanding the optical properties and phonon thermodynamic features of materials enables the determination of their viability for optoelectronic applications including optical-based gas sensors. Metal halide perovskites ABX 3 as well as their mixed alloys can be attractive in applications of this kind. In particular, the formation of alloyed perovskites A[B x B’ 1–x ]X 3 modulates the functional characteristics that can overtake the single-halide ABX 3 . To this end, we use the first-principles simulations to model the effect of B-site alloying on the optical and phonon properties of cubic Cs[Pb x Sn 1–x ]I 3 (x = 0.75, 0.50, and 0.25). We identified the systematic shifts of optical properties as a function of alloying concentration, such as dielectric constants, refraction indices, and absorption coefficients. It was also found that a linear correlation exists between the optical constants and the band gaps of these materials, which satisfies the Penn model. Modeling of phonons in Cs[Pb x Sn 1–x ]I 3 showed that dissipating the dynamically unstable phonons can be feasible at a carefully chosen alloying concentration, which are originally present in their single-halide Pb- and Sn-ends. Our findings pave a way to optimize the alloying conditions of the alloyed perovskite systems of interest for tuning their optical and phonon stability characteristics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assessing the Effects of Temperature and Oxygen Vacancy on Band Gap Renormalization in LaCrO 3-δ : First-Principles and Experimental Corroboration [plus supplemental information]

Understanding the temperature dependence of functional properties in high-temperature gas sensors is vital for applications in combustion environments. Temperature effect on the electronic structure due to electron-phonon coupling is a key property of interest as this influences other responses of sensors. In this work, we assess the impact of temperature on band gap renormalization of pristine and oxygen-vacant LaCrO 3–δ perovskite employing Allen–Heine–Cardona theory with first-principles simulations and corroborate with experimental observation. Antiferromagnetic cubic LaCrO 3 shows a direct ground-state band gap of 2.62 eV that is reduced by over 1 eV due to the presence of oxygen vacancies, which can form endothermically. We find excellent agreement in temperature-dependent band gap shift in LaCrO 3 between theory and an in-house experiment, proving that the theory can adequately predict renormalization on the band gap in a magnetic system. Band gaps in cubic LaCrO 3–δ are found to monotonically narrow by 1.13 eV in pristine and by around 0.62 eV in oxygen-vacant structures as temperature increases from 0 to 1500 K. The predicted band gap variations are rationalized using an analytical model. Furthermore, the experimental zero-temperature band gaps are extracted from the model fits that can provide useful insights on the simulated band gaps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Confinement of 1D Chain and 2D Layered CuI Modules in K-INA-R Frameworks via Coordination Assembly: Structure Regulation and Semiconductivity Tuning

Herein, we present a new series of CuI-based hybrid materials with tunable structures and semiconducting properties. Furthermore, the CuI inorganic modules can be tailored into a one-dimensional (1D) chain and two-dimensional (2D) layer and confined/stabilized in coordination frameworks of potassium isonicotinic acid (HINA) and its derivatives (HINA-R, R = OH, NO 2 , and COOH). The resulting CuI-based hybrid materials exhibit interesting semiconducting behaviors associated with the dimensionality of the inorganic module; for instance, the structures containing the 2D-CuI module demonstrate significantly enhanced photoconductivity with a maximum increase of five orders of magnitude compared to that of the structures containing the 1D-CuI module. They also represent the first CuI-bearing hybrid chemiresistive gas sensors for NO 2 with boosted sensing performance and sensitivity at multiple orders of magnitude over that of the pristine CuI. Particularly, the sensing ability of CuI-K-INA containing both 1D- and 2D-CuI modules is comparable to those of the best NO 2 chemiresistors reported thus far.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The synthesis and electrical transport properties of carbon/Cr 2 GaC MAX phase composite microwires

While MAX phases offer an exotic combination of ceramic and metallic properties, rendering them a unique class of materials, their applications remain virtually hypothetical. To overcome this shortcoming, a sol–gel based route is introduced that allows access to microwires in the range of tens of micrometers. Thorough structural characterization through XRD, SEM, EDS, and AFM demonstrates a successful synthesis of carbonaceous Cr2GaC wires, and advanced low temperature electronic transport measurements revealed resistivity behavior dominated by amorphous carbon. Here, the tunability of electronic behavior of the obtained microwires is shown by a halide post-synthesis treatment, allowing purposeful engineering of the microwires’ electrical conductivity. Raman studies revealed the polyanionic nature of the intercalated halides and a slow decrease in halide concentration was concluded from time-dependent conductivity measurements. Based on these findings, the process is considered a viable candidate for fabricating chemiresistive halogen gas sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermodynamic Modeling of Complex Solid Solutions in the Lu-H-N System via Graph Neural Network Accelerated Monte Carlo Simulations

Metal hydrides are important across diverse applications, such as hydrogen storage, batteries, gas sensors, nuclear reactions, and high-temperature superconductivity. Previous computational studies of metal hydrides under extreme pressures, e.g., 𝑂⁡(10 2 ) ⁢GPa, usually treat them as stoichiometric compounds without considering interstitial lattice disorder. As pressures become more moderate in the 𝑂⁡(10 0 ) ⁢GPa and below range, hydrogen disorder at interstitial lattice sites becomes prominent, e.g., in the N-doped Lu hydride that was recently claimed superconducting near 1 GPa. Further adding compositional complexity from alloying and/or multielement interstitial occupation makes elucidating pressure- and temperature-dependent observables intractable by first-principles calculations alone. We therefore propose a lattice graph neural-network surrogate modeling approach to predict configuration- and pressure-dependent equation-of-state properties. Their efficiency permits Monte Carlo simulations to calculate Gibbs energies and pressure-dependent phase diagrams, thereby revealing insights into the synthesis conditions required for achieving desired phase equilibria. We demonstrate this concept for the compositionally complex cubic Lu(H,N,Va) 3 system where three constituents (hydrogen, nitrogen and vacancy) have disordered multielement interstitial occupancies and insights into pressure-dependent phase equilibria are critically needed, e.g., N-doping levels can significantly lower dehydrogenation temperatures and provide a new strategy to optimize hydrogen-storage alloys. This work can improve the thermodynamic understanding of the Lu-H-N system and help rational synthesis of N-doped Lu hydrides, but more generally demonstrates an efficient approach to model pressure-dependent thermodynamics of multicomponent solid solutions.

Monte Carlo methods↗
DOE OSTI2021

A new open‐path eddy covariance method for nitrous oxide and other trace gases that minimizes temperature corrections

Abstract Low‐power, open‐path gas sensors enable eddy covariance (EC) flux measurements in remote areas without line power. However, open‐path flux measurements are sensitive to fluctuations in air temperature, pressure, and humidity. Laser‐based, open‐path sensors with the needed sensitivity for trace gases like methane (CH 4 ) and nitrous oxide (N 2 O) are impacted by additional spectroscopic effects. Corrections for these effects, especially those related to temperature fluctuations, often exceed the flux of gases, leading to large uncertainties in the associated fluxes. For example, the density and spectroscopic corrections arising from temperature fluctuations can be one or two orders of magnitude greater than background N 2 O fluxes. Consequently, measuring background fluxes with laser‐based, open‐path sensors is extremely challenging, particularly for N 2 O and gases with similar high‐precision requirements. We demonstrate a new laser‐based, open‐path N 2 O sensor and a general approach applicable to other gases that minimizes temperature‐related corrections for EC flux measurements. The method identifies absorption lines with spectroscopic effects in the opposite direction of density effects from temperature and, thus, density and spectroscopic effects nearly cancel one another. The new open‐path N 2 O sensor was tested at a corn ( Zea mays L.) field in Southwestern Michigan, United States. The sensor had an optimal precision of 0.1 ppbv at 10 Hz and power consumption of 50 W. Field trials showed that temperature‐related corrections were 6% of density corrections, reducing EC random errors by 20‐fold compared to previously examined lines. Measured open‐path N 2 O EC fluxes showed excellent agreement with those made with static chambers ( m = 1.0 ± 0.3; r 2 = .96). More generally, we identified absorption lines for CO 2 and CH 4 flux measurements that can reduce the temperature‐related corrections by 10–100 times compared to existing open‐path sensors. The proposed method provides a new direction for future open‐path sensors, facilitating the expansion of accurate EC flux measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Plasma enhanced atomic layer deposition and atomic layer etching of gallium oxide using trimethylgallium

Atomic layer etching driven by self-limiting thermal reactions has recently been developed as a highly conformal and isotropic technique for low damage atomic scale material removal by sequential exposures of vapor phase reactants. Gallium oxide (Ga2O3) is currently among the materials of interest due to a large variety of applications including power electronics, solar cells, gas sensors, and photon detectors. In this study, Ga2O3 was deposited by plasma enhanced atomic layer deposition using trimethylgallium [TMG, Ga(CH3)3] and O2 plasma at a substrate temperature of 200 °C. We report a newly developed method for Ga2O3 thermal atomic layer etching, in which surface modification is achieved through HF exposure resulting in a gallium fluoride surface layer, and then removed through volatile product formation via ligand exchange with TMG. Saturation of the precursor exposure at a substrate temperature of 300 °C resulted in an etch rate of 1.0 ± 0.1 Å/cycle for amorphous Ga2O3. Uniformity and conformality of the atomic layer etching process were confirmed via atomic force microscopy with a measured surface roughness of 0.55 ± 0.05 nm that remains unchanged after etching. The use of TMG for etching may expand available precursors for atomic layer etching processes, while allowing for both etching and deposition of Ga2O3 using the same metalorganic precursor.

Hatch, Kevin A. (ORCID:0000000283118623)↗
DOE OSTI2022

Infrared Absorption Spectra of H2SO4, SO3, SO2, and H2O at 300C and 350C

Mid infrared absorption spectra of sulfuric acid (H2SO4), sulfur trioxide (SO3), sulfur dioxide (SO2), and water (H2O) were collected in a high temperature gas cell operating at either 300C or 350C. The spectra were collected using tunable external cavity quantum cascade lasers (ECQCLs) tuning, which were capable of operating over the wavelength range from approximately 7 microns to 9 microns, where H2SO4 and SO3 have their strongest absorption features. The spectra can be used as a library for developing gas sensors.

infrared absorption↗
DOE OSTI2021

Sensing and arresting metal corrosion in molten chloride salts at 800 degrees Celsius

Originally this was planned as a 5 task, 3 year project, starting in May 2019. Task 1 Detecting oxidants and metal corrosion in molten chloride salt at 800°C. Task 2 Effectiveness of Zr getter using head gas sensors of inlet and outlet gases. Task 3 Cathodic protection of metal in molten salt at reducing potential. Task 4 Find reduction potential of metals in molten chloride salts & quantum modeling. Task 5 Develop corrosion test sections integrated into molten salt flow loop. After Q4, the project was scaled back and the reorganized SOPO was reduced to 3 tasks to be completed at the end of Q7 on 01/05/2021. The 3 SOPO tasks are: Task 1 Sense oxidants and the metal corrosion in molten Na-K-Mg-Cl salt at 800°C. Task 3 Cathodically protect H230 alloy in molten Na-K-Mg-Cl salt at 800C by making H230 alloy the cathode of a power supply with a chromium-rich-metal as the anode. Task 4 Find the reduction potential of Cr metal in molten Na-K-Mg-Cl salt at 800°C. The total timeline was reduced from 12 to 7 quarters with the end date being, January 5, 2021. This amounted to task 1,3 and 4 being done in Q5,6 and 7 of an extended year 1, ending on January 5, 2021. Task 1, 3 and 4 were completed. For task1) the increase of oxidants in molten salt is detected by two things: i) a positive shift of the electrode potential for a Haynes 230 alloy (H230) metal coupon versus a silver/silver-chloride reference electrode (SSE) and ii) an increase in the corrosion rate of a H230 electrode at 800C. For task 3) applying a cathodic potential (negative overpotential) to a H230 electrode versus SSE arrested the corrosion of the cathodically protected H230 compared to an unprotected “spectator H230 electrode” in the same molten chloride salt. Lastly, for task 4) the reduction potential of chrome and chrome rich, and nickel metal electrodes were measured. The most valuable outcome of this work is that a power supply can arrest metal corrosion for metal in molten chloride salt when the power supply applies a cathodic potential to bare metal, like H230, in molten chloride salts, like ternary Mg-K-Na-chloride salt. H230 is a high strength metal for containing molten chloride salt and ternary Mg-K-Na-chloride salt is used as heat transfer fluids in concentrating solar power plants. When to use cathodic protection for protecting metal in molten chloride salts? Two scenarios are envisioned: 1) for protecting high-valued components, like solar collectors and heat exchangers and 2) for protecting the bare surface in holidays (point defects) of corrosion inhibitors that are to intended to cover the entire surface of metal.

14 SOLAR ENERGY↗
DOE OSTI2023

Robust highly durable solid oxide fuel cell cathodes – Improved materials compatibility & self-regulating surface chemistry

Solid oxide fuel cells (SOFCs) are electrochemical conversion devices that directly transform hydrogen or hydrocarbon fuels to electricity, with energy efficiencies as high as 90%, coupled with reduced emissions. Several factors, however, remain to be addressed when considering scale-up of SOFC technology, including the need to overcome decreased performance due to sluggish rates of the oxygen reduction reaction (ORR) at the cathode under reduced temperatures and susceptibility to degradation in performance from surface poisoning e.g. from chromia, while limiting the use of critical raw materials (lanthanides and transition metals) present in high performing mixed ionic electronic conducting electrodes like (La,Sr)CoO 3 (LSC). In this project we explored the key descriptors for determining ORR activity in SOFC electrodes and tried to recover performance degradation by applying them to SOFC electrodes. In order to do this, we first selected a model mixed ionic electronic conducting (MIEC) oxide, Pr-doped CeO 2 (Pr 0.1 Ce 0.9 O 2-δ , PCO), which is a chemically stable fluorite and free of inherent poison sources (e.g. Sr segregation in LSC) that potentially react with external impurities such as Cr-species vaporized from the interconnect. The three approaches originally planned in this project are as follows: 1) evaluation of scavenger exsolution characteristics, 2) study of scavengers gettering efficacy following Cr and Si poisoning and 3) integration of new compositions into porous electrodes. Among them, exceptional progress has been made in 2) and 3), especially understanding the role of surface infiltrants in impacting electrode performance and degradation of PCO materials. We found that the Smith acidity scale for binary oxides serves as a powerful descriptor for tuning and predicting the oxygen exchange kinetics on MIEC PCO surfaces. As a result, with infiltration with binary oxides, ranging from strongly basic (Li 2 O) to strongly acidic (SiO 2 ) onto the surface of porous PCO, it was possible to systematically vary the chemical surface exchange coefficient (k chem ) by 6 orders of magnitude! L i2 O increased k chem by nearly 1,000 times over that of pristine PCO, while SiO 2 decreased k chem by nearly the same factor. Strikingly, although the pre-exponential of k chem scales linearly with the acidity of the infiltrated binary oxide, there is nearly no change in the activation energy. With this insight, we attributed the origin of these dramatic changes in k chem values to the systematic increase and decrease in the surface electron density induced by infiltrated binary oxides. More interestingly, although both Cr 2 O 3 and SiO 2 were determined to be acidic by Smith, suggesting that this feature could likely be the primary reason that these compounds serve to poison the ORR on SOFC cathodes, the effect of poisoning could be subsequently tuned by adding multiple infiltrants and controlling their relative surface acidities. We also systematically examined the effect of serial infiltration of basic and acidic oxides. It turned out that serial infiltration of Li not only recovers approximately 20-fold degraded k chem of PCO by acidic Cr 2 O 3 but its k chem is enhanced even beyond that of the non-infiltrated PCO by more than three orders of magnitude. This was further verified with a screen-printing PCO symmetric cell in terms of the electrode performance (area-specific resistance, ASR) related to approach 3). These observations point to acidity as a key descriptor not only in tuning and predicting the ORR activity of SOFC cathodes that largely determines the overall performance of SOFC, but in mitigating and reactivating poisoned electrode performance. This work provides novel guidelines for making the electrode performance much more active and robust in SOFCs, which can further be applied to all applications requiring oxygen exchange reaction, such as electrolyzers, permeation membranes and gas sensors.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Compact scalable nanofiber mass production using electrospinning

A low power out put high voltage power supply unit for mass producing thicker nanofiber mat has been built in-house and earned a provisional patent last year. This nanofiber fabrication unit has unique features to produce stand alone thick ceramic nanofiber for specialized application such as isotop production and accelerator targets for high energy physics experiments. This is a versatile unit which can produce wide variety of polymer nanofibers on a semi industrial scale for application in air filtration, face mask, facial beauty pads, gas sensors and many more.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Templating Functional Materials Using Self-Assembled Block Copolymer Thin-Film for Nanodevices

The nanomorphologies and nanoarchitectures that can be synthesized using block copolymer (BCP) thin-film self-assembly have inspired a variety of new applications, which offer various advantages, such as, small device footprint, low operational power and enhanced device performance. Imperative for these applications, however, is the ability to transform these small polymeric patterns into useful inorganic structures. BCP-templated inorganic nanostructures have shown the potential for use as active materials in various electronic device applications, including, field-effect transistors, photodetectors, gas sensors and many more. This article reviews various strategies that have been implemented in the past decade to fabricate devices at nanoscale using block copolymer thin films.

Subramanian, Ashwanth↗
DOE OSTI2020

A Novel Laser 3D Printing Method for the Advanced Manufacturing of Protonic Ceramics

Protonic ceramics (PCs) with high proton conductivity at intermediate temperatures (300–600 °C) have attracted many applications in energy conversion and storage devices such as PC fuel/electrolysis cells, PC membrane reactors, hydrogen pump, hydrogen or water-permeable membranes, and gas sensors. One of the essential steps for fulfilling the practical utilization of these intermediate-temperature PC energy devices is the successful development of advanced manufacturing methods for cost-effectively and rapidly fabricating them with high energy density and efficiency in a customized demand. In this work, we developed a new laser 3D printing (L3DP) technique by integrating digital microextrusion-based 3D printing and precise and rapid laser processing (sintering, drying, cutting, and polishing), which showed the capability of manufacturing PCs with desired complex geometries, crystal structures, and microstructures. The L3DP method allowed the fabrication of PC parts such as pellets, cylinders, cones, films, straight/lobed tubes with sealed endings, microchannel membranes, and half cells for assembling PC energy devices. The preliminary measurement of the L3DP electrolyte film showed a high proton conductivity of ≈7 × 10−3 S/cm. This L3DP technique not only demonstrated the potential to bring the PCs into practical use but also made it possible for the rapid direct digital manufacturing of ceramic-based devices.

08 HYDROGEN↗
DOE OSTI2025

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗
DOE OSTI2022

Demonstration and Evaluation of a Non-Invasive, Low-Cost, Strap-On Sensor for Natural Gas Meters

The U.S. General Services Administration (GSA) is interested in installing internet-connected, gas submeters to better understand gas consumption in its portfolio of buildings. The GSA in partnership with the National Renewable Energy Laboratory conducted a demonstration to assess a specific submeter technology. This technology was implemented at two GSA separate facilities located in Dallas, Texas. This demonstration evaluated hardware and software installations and integrations, data integrity and accuracy, and included an economic analysis. This demonstration evaluated a gas submeter technology provided by the vendor Vata Verks, who produces a non-invasive strap-on submeter. The company was founded with a mission to conserve water (and eventually gas) cheaply and simply, as explained on its website. The product intends to streamline submeter deployments for gas and water by eliminating most hardware costs while allowing for easy integration of submetered data into other systems such as the Building Automation System and removing tenant and building disruption This demonstration evaluated the product features when used on a gas utility meter.

03 NATURAL GAS↗
DOE OSTI2020

Window obscuration sensors for mobile gas and chemical imaging cameras

An infrared (IR) imaging system for determining a concentration of a target species in an object is disclosed. The imaging system can include an optical system including a focal plane array (FPA) unit behind an optical window. The optical system can have components defining at least two optical channels thereof, said at least two optical channels being spatially and spectrally different from one another. Each of the at least two optical channels can be positioned to transfer IR radiation incident on the optical system towards the optical FPA. The system can include a processing unit containing a processor that can be configured to acquire multispectral optical data representing said target species from the IR radiation received at the optical FPA. One or more of the optical channels may be used in detecting objects on or near the optical window, to avoid false detections of said target species.

Mallery, Ryan↗