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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Toward AlGaN channel HEMTs on AlN: Polarization-induced 2DEGs in AlN/AlGaN/AlN heterostructures

Due to its high breakdown electric field, the ultra-wide bandgap semiconductor AlGaN has garnered much attention recently as a promising channel material for next-generation high electron mobility transistors (HEMTs). A comprehensive experimental study of the effects of Al composition x on the transport and structural properties is lacking. We report the charge control and transport properties of polarization-induced 2D electron gases (2DEGs) in strained AlGaN quantum well channels in molecular-beam-epitaxy-grown AlN/Al x Ga 1-x N/AlN double heterostructures by systematically varying the Al content from x = 0 (GaN) to x = 0.74, spanning energy bandgaps of the conducting HEMT channels from 3.49 to 4.9 eV measured by photoluminescence. This results in a tunable 2DEG density from 0 to 3.7 × 10 13 cm 2 . The room temperature mobilities of x ≥ 0.25 AlGaN channel HEMTs were limited by alloy disorder scattering to below 50 cm 2 /(V.s) for these 2DEG densities, leaving ample room for further heterostructure design improvements to boost mobilities. A characteristic alloy fluctuation energy of ≥1.8 eV for electron scattering in AlGaN alloy is estimated based on the temperature dependent electron transport experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Integrated sample-handling and mounting system for fixed-target serial synchrotron crystallography

Serial synchrotron crystallography (SSX) is enabling the efficient use of small crystals for structure–function studies of biomolecules and for drug discovery. An integrated SSX system has been developed comprising ultralow background-scatter sample holders suitable for room and cryogenic temperature crystallographic data collection, a sample-loading station and a humid `gloveless' glovebox. The sample holders incorporate thin-film supports with a variety of designs optimized for different crystal-loading challenges. These holders facilitate the dispersion of crystals and the removal of excess liquid, can be cooled at extremely high rates, generate little background scatter, allow data collection over >90° of oscillation without obstruction or the risk of generating saturating Bragg peaks, are compatible with existing infrastructure for high-throughput cryocrystallography and are reusable. The sample-loading station allows sample preparation and loading onto the support film, the application of time-varying suction for optimal removal of excess liquid, crystal repositioning and cryoprotection, and the application of sealing films for room-temperature data collection, all in a controlled-humidity environment. The humid glovebox allows microscope observation of the sample-loading station and crystallization trays while maintaining near-saturating humidities that further minimize the risks of sample dehydration and damage, and maximize working times. This integrated system addresses common problems in obtaining properly dispersed, properly hydrated and isomorphous microcrystals for fixed-orientation and oscillation data collection. Its ease of use, flexibility and optimized performance make it attractive not just for SSX but also for single-crystal and few-crystal data collection. Fundamental concepts that are important in achieving desired crystal distributions on a sample holder via time-varying suction-induced liquid flows are also discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Correlating electronic properties with M-site composition in solid solution Ti y Nb 2- y CT x MXenes

High electrical conductivity is desired in MXene films for applications such as electromagnetic interference shielding, antennas, and electrodes for electrochemical energy storage and conversion applications. Due to the acid etching-based synthesis method, it is challenging to deconvolute the relative importance that factors such as chemical composition and flake size contribute to resistivity. To understand the intrinsic and extrinsic contributions to the macroscopic electronic transport properties, a systematic study controlling compositional and structural parameters was conducted with eight solid solutions in the Ti y Nb 2-y CT x system. Here, in particular, we investigated the different roles played by metal (M)-site composition, flake size, and d-spacing on macroscopic transport. Hard x-ray photoemission spectroscopy and spectroscopic ellipsometry revealed changes to electronic structure induced by the M-site alloying. Consistent with the spectroscopic results, the low- and room-temperature conductivities and effective carrier mobility are correlated with the Ti content, while the impact of flake size and d-spacing is most prominent in low-temperature transport. The results provide guidance for designing and engineering MXenes with a wide range of conductivities.

36 MATERIALS SCIENCE↗
DOE OSTI2022

225 Ac-MACROPATATE: A Novel α-Particle Peptide Receptor Radionuclide Therapy for Neuroendocrine Tumors

Neuroendocrine tumors (NETs) express somatostatin receptors (SSTRs) 2 and 5. Modified variants of somatostatin, the cognate ligand for SSTR2 and SSTR5, are used in treatment for metastatic and locoregional disease. Peptide receptor radionuclide therapy with 177 Lu-DOTATATE (DOTA-octreotate), a β-particle–emitting somatostatin derivative, has demonstrated survival benefit in patients with SSTR-positive NETs. Despite excellent results, a subset of patients has tumors that are resistant to treatment, and alternative agents are needed. Targeted α-particle therapy has been shown to kill tumors that are resistant to targeted β-particle therapy, suggesting that targeted α-particle therapy may offer a promising treatment option for patients with 177 Lu-DOTATATE–resistant disease. Although DOTATATE can chelate the clinically relevant α-particle–emitting radionuclide 225 Ac, the labeling reaction requires high temperatures, and the resulting radioconjugate has suboptimal stability. Methods: We designed and synthesized MACROPATATE (MACROPA-octreotate), a novel radioconjugate capable of chelating 225 Ac at room temperature, and assessed its in vitro and in vivo performance. Results: MACROPATATE demonstrated comparable affinity to DOTATATE (dissociation constant, 21 nM) in U2-OS-SSTR2, a SSTR2-positive transfected cell line. 225 Ac-MACROPATATE demonstrated superior serum stability at 37°C over time compared with 225 Ac-DOTATATE. Biodistribution studies demonstrated higher tumor uptake of 225 Ac-MACROPATATE than of 225 Ac-DOTATATE in mice engrafted with subcutaneous H69 NETs. Therapy studies showed that 225 Ac-MACROPATATE exhibits significant antitumor and survival benefit compared with saline control in mice engrafted with SSTR-positive tumors. However, the increased accumulation of 225 Ac-MACROPATATE in liver and kidneys and subsequent toxicity to these organs decreased its therapeutic index compared with 225 Ac-DOTATATE. Conclusion: 225 Ac-MACROPATATE and 225 Ac-DOTATATE exhibit favorable therapeutic efficacy in animal models. Because of elevated liver and kidney accumulation and lower administered activity for dose-limiting toxicity of 225 Ac-MACROPATATE, 225 Ac-DOTATATE was deemed the superior agent for targeted α-particle peptide receptor radionuclide therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Mild-to-wild plastic transition is governed by athermal screw dislocation slip in bcc Nb

Plastic deformation in crystals is mediated by the motion of line defects known as dislocations. For decades, dislocation activity has been treated as a homogeneous, smooth continuous process. However, it is now recognized that plasticity can be determined by long-range correlated and intermittent collective dislocation processes, known as avalanches. Here we demonstrate in body-centered cubic Nb how the long-range and scale-free dynamics at room temperature are progressively quenched out with decreasing temperature, eventually revealing intermittency with a characteristic length scale that approaches the Burgers vector itself. Plasticity is shown to be bimodal across the studied temperature regime, with conventional thermally-activated smooth plastic flow (‘mild’) coexisting with sporadic bursts (‘wild’) controlled by athermal screw dislocation activity, thereby violating the classical notion of temperature-dependent screw dislocation motion at low temperatures. An abrupt increase of the athermal avalanche component is identified at the critical temperature of the material. Our results indicate that plasticity at any scale can be understood in terms of the coexistence of these mild and wild modes of deformation, which could help design better alloys by suppressing one of the two modes in desired temperature windows.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Room temperature doping of Ln 3+ in perovskite nanoparticles: a halide exchange mediated cation exchange approach

This study presents a halide exchange mediated cation exchange strategy for a room temperature doping of trivalent lanthanide cations (Ln 3+ ) in cesium lead halide (CsPbX 3 ) nanoparticles (NPs). Post-synthetic addition of LnCl 3 [Ln = Nd, Sm, Eu, Tb, Dy, and Yb] to a solution of CsPbBr 3 NPs generates the corresponding lanthanide doped NPs which display host sensitized Ln 3+ emission. Structural and spectroscopic characterizations indicate a successful halide exchange and substitutional displacement of Pb 2+ by Ln 3+ . The effect of halide identity in controlling the Ln 3+ sensitization was also evaluated. Here, a photophysical framework is presented that can be used to predict the Ln 3+ sensitization in perovskite NPs semiempirically, thereby removing the constraints of trial and error in designing a perovskite NP-Ln 3+ host–guest combination.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Trends in best-in-class energy-efficient technologies for room air conditioners

Improving the efficiency of room air conditioners (RACs) could provide significant energy and associated emissions savings, particularly in emerging economies with hot climates where the cooling demand is expected to increase dramatically. To help accelerate efficiency improvements, this study identifies “best-in-class” high-efficiency RAC components and products. The findings show that manufacturers tend to minimize manufacturing costs by using RAC designs that are readily available or standardized to their production, and they share components across various models. High-efficiency RAC models use advanced compressor technologies optimized at a low frequency, large heat exchangers with thermodynamically effective materials and designs, highly efficient direct current fan motors, advanced metering devices, and smart sensors for temperature and humidity control. Recently RAC manufacturers have been improving seasonal efficiency – better reflecting part-load operation – especially via variable-speed (inverter) drives for compressor motors. Recent highest-efficiency RAC models use low global warming potential (GWP) refrigerants, having transitioned from conventional high-GWP refrigerants, in regions where RACs that use these low-GWP refrigerants are commercially available. Recently demonstrated innovative technologies show trends toward smart hybrid designs, evaporative cooling, and solid-state materials beyond the conventional vapor-compression technology. This information could help policymakers improve their RAC market-transformation programs to align with the most-efficient global technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Transport Mediating Core–Shell Photocatalyst Architecture for Selective Alkane Oxidation

The high activation barrier of the C-H bond in methane, combined with the high propensity of methanol and other liquid oxygenates toward overoxidation to CO 2 , have historically posed significant scientific and industrial challenges to the selective and direct conversion of methane to energy-dense fuels and chemical feedstocks. Here, we report a unique core-shell nanostructured photocatalyst, silica encapsulated TiO 2 decorated with AuPd nanoparticles (TiO 2 @SiO 2 -AuPd), that prevents methanol overoxidation on its surface and possesses high selectivity and yield of oxygenates even at high UV intensity. This room-temperature approach achieves high selectivity for oxygenates (94.5%) with a total oxygenate yield of 15.4 mmol/g cat ·h at 9.65 bar total pressure of CH 4 and O 2 . The working principles of this core-shell photocatalyst were also systematically investigated. Finally, this design concept was further demonstrated to be generalizable for the selective oxidation of other alkanes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Physical and Thermomechanical Properties of Yttrium Hydride from Large Scale Bulk Metal Hydriding Furnace

Given the superior thermal stability and highly attainable hydrogen density, yttrium hydride is an excellent high-temperature moderator material in advanced thermal neutron spectrum reactors that require small core volumes. Yttrium hydride has been selected as the moderator material for the Transformational Challenge Reactor, which was launched at Oak Ridge National Laboratory (ORNL) in 2019. However, fabrication of large-scale crack-free yttrium hydride is challenging and very limited efforts have been committed to the characterization of bulk yttrium hydride in response to the need to establish a complete database of the thermomechanical properties of YHx. In this report, the challenges associated with fabricating large-scale crack-free yttrium hydride are discussed herein. In response to those challenges, a hydriding system was designed and constructed at ORNL and was used to successfully fabricate crack-free yttrium hydride in complex geometries at large scales. This was accomplished by precisely controlling the hydrogen’s partial pressure and the retort temperature, which was informed by the well-established thermodynamic properties of the binary H-Y system. Hydrogen content in as-fabricated hydride was determined by the weight change method and vacuum hot extraction technique, complemented by the X-ray diffraction (XRD). In addition, significant efforts are being dedicated to establishing a complete database of the thermomechanical properties of as-fabricated yttrium hydride. In FY2020, we investigated the thermophysical properties of yttrium hydrides as a function of temperature (room temperature to 700°C) and hydrogen concentration (H/Y ratio ranges from 1.52 to 1.93). The results indicate that at the temperatures below 300 °C, the hydrogen content did not have a significant influence on the thermal expansion, while the specific heat capacity, the thermal diffusivity, and the calculated thermal conductivity were slightly higher for the higher H/Y ratio. Between 300°C and 700 °C, a reversible second-order endothermic transition in all measured thermal properties was observed. It was also found that the onset temperatures of the observed transition varied, with the composition having inverse dependence on the hydrogen content. An attempt was made to explain the behavior of the thermophysical properties at higher temperatures by considering the order– disorder transition as a result of hydrogen redistribution. In addition, nanoindentation was employed to determine the elastic modulus and hardness and to capture the crystal orientation dependence of these parameters. Vickers hardness was also reported. The final section of the report introduces ongoing neutron irradiation campaign of yttrium hydride.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Thermodynamic Properties and Molecular Packing Explain Performance and Processing Procedures of Three D18:NFA Organic Solar Cells

Abstract Organic solar cells (OSCs) based on D18:Y6 have recently exhibited a record power conversion efficiency of over 18%. The initial work is extended and the device performance of D18‐based OSCs is compared with three non‐fullerene acceptors, Y6, IT‐4F, and IEICO‐4Cl, and their molecular packing characteristics and miscibility are studied. The D18 polymer shows unusually strong chain extension and excellent backbone ordering in all films, which likely contributes to the excellent hole‐transporting properties. Thermodynamic characterization indicates a room‐temperature miscibility for D18:Y6 and D18:IT‐4F near the percolation threshold. This corresponds to an ideal quench depth and explains the use of solvent vapor annealing rather than thermal annealing. In contrast, D18:IEICO‐4Cl is a low‐miscibility system with a deep quench depth during casting and poor morphology control and low performance. A failure of ternary blends with PC 71 BM is likely due to the near‐ideal miscibility of Y6 to begin with and indicates that strategies for developing successful ternary or quaternary solar cells are likely very different for D18 than for other high‐performing donors. This work reveals several unique property–performance relations of D18‐based photovoltaic devices and helps guide design or fabrication of yet higher efficiency OSCs.

Wang, Zhen↗
DOE OSTI2024

Defect‐Free Nanowelding of Bilayer SnSe Nanoplates

Nanowelding is a bottom‐up technique to create custom‐designed nanostructures and devices beyond the precision of lithographic methods. Here, a new technique is reported based on anisotropic lubricity at the van der Waals interface between monolayer and bilayer SnSe nanoplates and a graphene substrate to achieve precise control of the crystal orientation and the interface during the welding process. As‐grown SnSe monolayer and bilayer nanoplates are commensurate with graphene's armchair direction but lack commensuration along graphene's zigzag direction, resulting in a reduced friction along that direction and a rail‐like, 1D movement that permits joining nanoplates with high precision. This way, molecular beam epitaxially grown SnSe nanoplates of lateral sizes 30–100 nm are manipulated by the tip of a scanning tunneling microscope at room temperature. In situ annealing is applied afterward to weld contacting nanoplates without atomic defects at the interface. This technique can be generalized to any van der Waals interfaces with anisotropic lubricity and is highly promising for the construction of complex quantum devices, such as field effect transistors, quantum interference devices, lateral tunneling junctions, and solid‐state qubits.

2D ferroelectrics↗
DOE OSTI2022

Quench and Partitioning Steels

Quench and Partitioning (Q&P) steels are produced by implementing a unique thermal history designed to produce microstructures that contain martensite, and potentially ferrite, along with significant amounts of retained austenite stabilized by high carbon contents. Carbon-stabilized austenite is obtained by carbon transfer from martensite into austenite after a controlled amount of martensite is introduced by judicious selection of a so-called quench temperature at which quenching below the martensite start temperature is interrupted. Following the quench interruption, during the partitioning step, the steel is either held at the quench temperature or brought to a higher temperature and held for a specific time, to stimulate carbon transfer from martensite to austenite, to decrease the carbon supersaturation in martensite and correspondingly stabilize the austenite by carbon enrichment. A final quench to room temperature may be associated with the transformation of a certain fraction of austenite into secondary or “fresh” martensite, which is usually undesirable. A review of the Q&P process is presented, including prediction of austenite retention, alloying effects on its stabilization, a mechanical properties survey, including tensile and local formability relevant to sheet steels for automotive applications, along with perspectives on reactions competing with carbon partitioning that may operate during partitioning.

Kang, Singon↗
DOE OSTI2024

Building ControlScore: General Service Administration Office Building Deployment

Improvements to building control systems can lead to energy savings and increased occupant comfort. In an optimized system, process variables such as air temperature will closely follow their desired setpoints and avoid excess energy use. Typically, experts must manually inspect individual control loops to identify poor performance and opportunities for improvement. However, this approach is difficult in modern buildings that have a prohibitively large number of controllers. To address this issue, Pacific Northwest National Laboratory (PNNL) created the ControlScore concept, which takes operating data from the many controllers within a building and generates standardized scores for each loop on a scale of 0 to 10 (a score of 0 indicates poor control, a score of 10 indicates good control). PNNL applied the Building ControlScore application to all available data from a General Services Administration office building within the period of January 1, 2023, to March 9, 2023. The building scored a 4.7 overall, with all 74 of the building’s loops fitting a roughly normal distribution centered around 5. These results indicate that the analyzed systems have below-average performance with room for improvement, especially in the poorly scored systems. Airflow loops tended to have much lower scores than zone temperature loops. The lowest and highest performing systems in the building section were identified, as were all loops with a score less than 1. While the ControlScore identifies loops and systems that aren’t meeting their designated setpoints, it does not indicate the cause of those issues. For example, consider a supply air terminal unit’s airflow loop that received a low score due to it delivering less air than specified by the setpoint. The lower-than-desired airflow could be due to equipment limitations (e.g., the terminal unit or duct serving is too small to accommodate that airflow), malfunctioning equipment (e.g., a stuck damper or bad sensor), or something else entirely. The ControlScore does not diagnose problems it simply identifies the symptoms that can be explored and addressed by building operators.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Cold-Starting All-Solid-State Batteries from Room Temperature by Thermally Modulated Current Collector in Sub-Minute

All-solid-state batteries (ASSBs) show great potential as high-energy and high-power energy storage devices but their attainable energy/power density at room temperature is severely reduced because of the sluggish kinetics of lithium-ion transport. Here we first reported a thermally modulated current collector (TMCC), which can rapidly cold-start ASSBs from room temperature to operating temperatures (70–90 °C) in less than one minute, and simultaneously enhance the transient peak power density by 15-fold compared to one without heating. This TMCC is prepared by integrating a uniform, ultrathin (~200 nm) nickel layer as a thermal modulator within an ultralight polymer-based current collector. By isolating the thermal modulator from the ion/electron pathway of ASSBs, it can provide fast, stable heat control yet does not interfere with regular battery operation. Moreover, this ultrathin (13.2 μm) TMCC effectively shortens the heat transfer pathway, minimizes heat losses, and mitigates the formation of local hot spots. The simulated heating energy consumption can be as low as ~3.94% of total battery energy. This TMCC design with good tunability opens new frontiers towards smart energy storage devices in the future from the current collector perspective.

25 ENERGY STORAGE↗
DOE OSTI2022

Trap-Filling Magnetoconductance as an Initialization and Readout Mechanism of Triplet Exciton Spins

Photoexcited triplet states are promising candidates for hybrid qubit systems, as they can be used as a controlling gate for nuclear spins. But microwave readout schemes do not generally offer the sensitivity needed to approach the single-molecule limit or the scope to integrate such systems into devices. In this report we demonstrate the possibility of electrical readout of triplet spins at room temperature through a specific mechanism of magnetoconductance (MC) in polycrystalline pentacene. We show that hole-only pentacene devices exhibit a positive photoinduced MC response that is consistent with a trap-filling mechanism. Spin and magnetic-field-dependent quenching of photogenerated triplets by holes quantitatively explains the MC response we observe. These results are distinct in both sign and proposed mechanism compared to previous reports on polyacene materials and provide clear design rules for future spintronic devices based on this spin-sensing mechanism.

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

Controlling Valley-Specific Light Emission from Monolayer MoS 2 with Achiral Dielectric Metasurfaces

Excitons in two-dimensional transition metal dichalcogenides have a valley degree of freedom that can be optically manipulated for quantum information processing. Here, we integrate MoS 2 monolayers with achiral silicon disk array metasurfaces to enhance and control valley-specific absorption and emission. Through the coupling to the metasurface electric and magnetic Mie modes, the intensity and lifetime of the emission of neutral excitons, trions, and defect bound excitons can be enhanced and shortened, respectively, while the spectral shape can be modified. Additionally, the degree of polarization (DOP) of exciton and trion emission from the valley can be symmetrically enhanced at 100 K. The DOP increase is attributed to both the metasurface-enhanced chiral absorption of light and the metasurface-enhanced exciton emission from the Purcell effect. Finally, combining Si-compatible photonic design with large-scale 2D materials integration, our work makes an important step toward on-chip valleytronic applications approaching room-temperature operation.

2D materials↗
DOE OSTI2022

MELCOR Accident Progression and Source Term Demonstration Calculations for a HTGR

MELCOR is an integrated thermal hydraulics, accident progression, and source term code for reactor safety analysis that has been developed at Sandia National Laboratories for the United States Nuclear Regulatory Commission (NRC) since the early 1980s. Though MELCOR originated as a light water reactor (LWR) code, development and modernization efforts over the past decades have expanded its application scope to include non-LWR reactor concepts. Current MELCOR development efforts include providing the NRC with the analytical capabilities to support regulatory readiness for licensing non-LWR technologies under Strategy 2 of the NRC's near-term Implementation Action Plans. Beginning with the Next Generation Nuclear Project (NGNP), MELCOR ha s undergone a range of enhancements to provide analytical capabilities for modeling the spectrum of advanced non-LWR concepts. This report describes the generic plant model developed to demonstrate MELCOR capabilities to perform high-temperature gas reactor (HTGR) safety evaluations. The generic plant model is based on publicly available PMBR-400 design information. For plant aspects (e.g., reactor building size and leak rate) that are not described in the PBMR-400 references, the analysts made assumptions needed to construct a MELCOR full-plant model. The HTGR model uses a TRi-structural ISOtropic (TRISO)-particle fuel pebble-bed reactor with a primary system rejecting heat to a recuperative heat exchange r. Surrounding the reactor vessel is a reactor cavity contained within a confinement room cooled by the Reactor Cavity Cooling System (RCCS). Example calculations are performed to show the plant response and MELCOR capabilities to characterize a range of accident conditions. The accidents selected for evaluation consider a range of degraded and failed modes of operation for key safety functions providing reactivity control, primary system heat removal and reactor vessel decay heat removal, and confinement cooling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications

The energy sector has become increasingly dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, ions, and pressure must be measured with high precision, often in harsh conditions (e.g. highly corrosive environments due to high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil, gas, and critical mineral deposits. The continued maturation of quantum sensing technologies offers exciting opportunities for quantum-enhanced measurements within the energy sector that may provide significant improvements in sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials for sensing applications will be provided, from trapped ions to color centers in diamond and silicon carbide. Associated quantum sensing methods for these materials will be discussed, with an emphasis on platforms that are nearing commercial viability. Specific application opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurement in electric vehicle batteries, and quantum-enhanced spectroscopy. Remaining barriers, such as quantum sensor platform miniaturization and ruggedization, will also be analyzed. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will also be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated in a controlled way using the metal-organic framework ZIF-8. The ZIF-8 provides a well-defined, porous scaffold that can be controlled to promote the selective uptake of specific target analytes, such as gas molecules or ions. The quantum sensing performance of this composite material is either preserved or enhanced following ZIF-8 encapsulation; the optically detected magnetic resonance response of the NV nanodiamonds with and without the ZIF-8 coating are identical, while the ZIF-8 coating increases the longitudinal spin relaxation lifetime (T1) of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. Taken together, these results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.

Crawford, Scott↗