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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

All-solid-state Z-scheme BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 heterostructure with prolonging electron-hole lifetime for enhanced photocatalytic hydrogen and oxygen evolution

As a visible-light response photocatalyst, BiVO 4 is widely used in photocatalytic oxygen evolution. In this study, a novel BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 (BBN) heterostructure fabricates via a simple one-pot hydrothermal approach is certified to effectively restrain the recombination of carriers by efficient spatial charge separation. By employing BBN as a reductive-function photocatalyst, a solid-state Z-scheme is constructed to improve the photo-redox capacity of BiVO 4 and hydrogen production is realized in the BiVO 4 –BBN heterostructure for the first time. Furthermore, the solid-state Z-scheme introduced in the BiVO 4 –BBN ensures the photoexcited carriers with the powerful redox capacity to participate in the photocatalytic reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced performance of Bi 2 S 3 /TiO 2 heterostructure composite films for solar cell applications

Day to day energy production is shifting towards renewable energy sources as these sources become more economically viable while being less polluting to operate; solar energy has become one of the major sources of renewable energy. However, it currently relies on ultra-pure silicon ingots to produce commercial silicon photovoltaics, which prevents the cost of electricity being produced to compete with non-renewable energy production. A viable low-cost alternative for silicon based cells would be dye-sensitized solar cells (DSSCs), which are easier and cheaper to manufacture as they do not require expensive and delicate raw materials to make. Moreover, they could be made semi-flexible which allows for a greater variety of applications. A DSSC consists of three components, a photo-electrode, an electrolyte and a counter-electrode. When exposed to incident light, the complex photosensitizers in the photoelectrode release electrons which are transported to the external load, leaving the photoelectrode in an oxidized state. The electrons are collected by the counter electrode and used to reduce the electrolyte. This charged electrolyte then reduces the positively charged photoelectrode, allowing the process to begin again. To improve the efficiency of this process, we explore the use of bismuth sulfide (Bi 2 S 3 ) and titanium oxide (TiO 2 ) composite as photoelectrode material and investigate their impact on the efficiency of DSSC.

14 SOLAR ENERGY↗
DOE OSTI2025

Mapping strain and structural heterogeneities around bubbles in amorphous ionically conductive Bi 2 O 3

While amorphous materials are often approximated to have a statistically homogeneous atomic structure, they frequently exhibit localized structural heterogeneity that challenges simplified models. This study uses 4D scanning transmission electron microscopy to investigate the strain and structural modifications around gas bubbles in amorphous Bi 2 O 3 induced by argon irradiation. We present a method for determining strain fields surrounding bubbles that can be used to measure the internal pressure of the gas. Compressive strain is observed around the cavities, with higher-order crystalline symmetries emerging near the cavity interfaces, suggesting paracrystalline ordering as a result of bubble coarsening. This ordering, along with a compressive strain gradient, indicates that gas bubbles induce significant localized changes in atomic packing. By analyzing strain fields with maximum compressive strains of 3%, we estimate a lower bound on the internal pressure of the bubbles at 2.5 GPa. These findings provide insight into the complex structural behavior of amorphous materials under stress, particularly in systems with gas inclusions, and offer new methods for probing the local atomic structure in disordered materials. Although considering structural heterogeneity in amorphous systems is non-trivial, these features have crucial impacts on material functionalities, such as mechanical strength, ionic conductivity, and electronic mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2024

X-ray induced grain boundary formation and grain rotation in Bi 2 Se 3

Optimizing grain boundary characteristics in polycrystalline materials can improve their properties. Many processing methods have been developed for grain boundary manipulation, including the use of intense radiation in certain applications. Here, in this work, we used X-ray free electron laser pulses to irradiate single-crystalline bismuth selenide (Bi 2 Se 3 ) and observed grain boundary formation and subsequent grain rotation in response to the X-ray radiation. Our observations with simultaneous transmission X-ray microscopy and X-ray diffraction demonstrate how intense X-ray radiation can rapidly change size and texture of grains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Bi-cross validation of spectral clustering hyperparameters

One challenge impeding the analysis of terabyte scale X-ray scattering data from the Linac Coherent Light Source (LCLS) is determining the number of clusters required for the execution of traditional clustering algorithms. Here, we demonstrate that the previous work using bi-cross validation to determine the number of singular vectors directly maps to the spectral clustering problem of estimating both the number of clusters and hyperparameter values. Here by applying this method to LCLS X-ray scattering data enables the identification of dropped shots without manually setting boundaries on detector fluence and provides a path toward identifying rare and anomalous events.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Iodine Close Packing in Hybrid Halide Bismuth(III) and Antimony(III) Semiconductors: (NH 3 (CH 2 ) 7 NH 3 ) 2 Bi 2 I 10 and (NH 3 (CH 2 ) 7 NH 3 ) 2 Sb 2 I 10

Simple features in complex hybrid inorganic–organic crystalline materials provide opportunities for targeted discovery of materials with desired optoelectronic properties. In this study, we report the structure and optoelectronic properties of isostructural (NH 3 (CH 2 ) 7 NH 3 ) 2 Bi 2 I 10 and (NH 3 (CH 2 ) 7 NH 3 ) 2 Sb 2 I 10 . The crystal structures are characterized by corner-connected metal-iodide octahedral chains that form a cubic close-packed iodine inorganic framework. Variable temperature UV–visible diffuse reflectance spectroscopy reveals stark contrasts in the onset of absorption and color changes between the [MX6]3– based structures, due to differences in the interaction of the (NH 3 (CH 2 ) 7 NH 3 ) 2+ organic ammonium cation and the iodine packing of the inorganic framework. Density functional theory (DFT) calculations reveal flat bands reflective of the pseudo-1D crystal structure. Dark microwave conductivity (DMC) and time-resolved microwave conductivity (TRMC) reveal an excitonic character with long carrier lifetimes, consistent with the electronically confined octahedral chains. Comparison of the structural features with those of other diammonium-containing crystals reveals that diammoniumheptane can substitute into structures, displacing inorganic octahedra while retaining a close-packed anion framework. This provides a means for targeting new hybrid materials in which “vacancy-ordering” provides a crystal chemical approach for targeting desirable optoelectronic properties.

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

Single-Layer Magnet Phase in Intrinsic Magnetic Topological Insulators, [MnTe][Bi 2 Te 3 ] n , Far beyond the Thermodynamic Limit

The intrinsic magnetic topological insulator (IMTI) family [MnTe][Bi 2 Te 3 ]n has demonstrated magneto-topological properties dependent on n, making it a promising platform for advanced electronics and spintronics. However, due to technical barriers in sample synthesis, their properties in the large n limit remain unknown. To overcome this, we utilized the atomic layer-by-layer molecular beam epitaxy (ALL-MBE) technique and achieved IMTIs with n as large as 15, far beyond that previously reported in bulk crystals or thin films. Then, we discover that the “single-layer magnet (SLM)” phase, primarily determined by intralayer ferromagnetic coupling, emerges for n > ∼4 and remains little affected up to n = 15. Nonetheless, still, nonzero, interlayer ferromagnetic coupling is necessary to stabilize the SLM phase, suggesting that the SLM phase eventually disappears in the n → ∞ limit. This study uncovers the secrets of IMTIs beyond the thermodynamic limit and opens a door to diverse magneto-topological applications.

2D ferromagnets↗
DOE OSTI2025

Probing the Fine Symmetry Breaking in High-Temperature Superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with Angle-Resolved Nonreciprocal Transport

After decades of research, symmetry breaking in high-temperature cuprate superconductors remains a key issue to resolve and is relevant to understanding their exotic quantum phases. In the prototypical cuprate superconductor, Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212), the possible symmetry breaking has been mostly examined microscopically with scanning tunneling microscopy and photoemission spectroscopy. However, macroscopic evidence and the direct implications for electronic transport have remained elusive. Using superconductivity-enhanced nonreciprocal transport, we report macroscopic evidence of inversion symmetry breaking in Bi2212. While the inversion symmetry breaking is subtle, its effect on nonreciprocal transport is significantly enhanced by the vortex motion during the superconducting transition, leading to a robust manifestation of inversion symmetry breaking in macroscopic transport. Combining angle-resolved nonreciprocal transport and 3D tight-binding model calculations, we derive that the inversion symmetry breaking is due to subtle crystal distortions that give rise to both in-plane and out-of-plane polar axes. Our work not only establishes nonreciprocal transport as a sensitive macroscopic probe to provide electrical transport-based evidence of fine symmetry breaking in Bi2212, but also paves the way for novel device applications such as high-temperature superconducting diodes and superconducting spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

JOINT APPOINTEE: Evolution of ferroelectric properties in SmxBi1-xFeO3 via automated Piezoresponse Force Microscopy across combinatorial spread libraries

Combinatorial spread libraries offer a innovative approach to explore the evolution of material properties over broad concentration, temperature, and growth parameter spaces. However, traditional limitation of this approach is the requirement for the read-out of functional properties across the library. Here we develop automated Piezoresponse Force Microscopy (PFM) for the exploration of combinatorial spread libraries and demonstrate its application in the SmxBi1-xFeO3 system with the ferroelectric-antiferroelectric morphotropic phase boundary. This approach relies on the synergy of the quantitative nature of PFM and the implementation of automated experiments that allow PFM-based sampling over macroscopic samples. The concentration dependence of pertinent ferroelectric parameters has been determined and used to develop the mathematical framework based on Ginzburg-Landau theory describing the evolution of these properties across the concentration space. We pose that a combination of automated scanning probe microscope and combinatorial spread library approach will emerge as an efficient research paradigm to close the characterization gap in the high-throughput materials discovery. We make the data sets open to the community and hope that this will stimulate other efforts to interpret and understand the physics of these systems.

Automated Microscopy, Combinatorial Library, Ferro↗
DOE OSTI2024

Ag Intercalation in Layered Cs 3 Bi 2 Br 9 Perovskite for Enhanced Light Emission with Bound Interlayer Excitons

Cesium bismuth bromide (CBB) has garnered considerable attention as a vacancy-ordered layered perovskite with notable optoelectronic applications. However, its use as a light source has been limited due to its weak photoluminescence (PL). Here, we demonstrate metal intercalation as a novel approach to engineer the room-temperature PL of CBB using experimental and computational methods. Ag, when introduced into CBB, occupies vacant sites in the spacer region, forming octahedral coordination with surrounding Br anions. First-principles density functional theory calculations reveal that intercalated Ag represents the most energetically stable Ag species compared to other potential forms, such as Ag substituting Bi. The intercalated Ag forms a strong polaronic trap state close to the conduction band minimum and quickly captures photoexcited electrons with holes remaining in CBB layers, leading to the formation of a bound interlayer exciton, or BIE. The radiative recombination of this BIE exhibits bright room-temperature PL at 600 nm and a decay time of 38.6 ns, 35 times greater than that of free excitons, originating from the spatial separation of photocarriers by half a unit cell separation distance. The BIE as a new form of interlayer exciton is expected to inspire new research directions for vacancy-ordered perovskites.

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

The Potential Benefits of Handling Mixture Statistics via a Bi-Gaussian EnKF: Tests With All-Sky Satellite Infrared Radiances

The meteorological characteristics of cloudy atmospheric columns can be very different from their clear counterparts. Thus, when a forecast ensemble is uncertain about the presence/absence of clouds at a specific atmospheric column (i.e., some members are clear while others are cloudy), that column's ensemble statistics will contain a mixture of clear and cloudy statistics. Such mixtures are inconsistent with the ensemble data assimilation algorithms currently used in numerical weather prediction. Hence, ensemble data assimilation algorithms that can handle such mixtures can potentially outperform currently used algorithms. In this study, we demonstrate the potential benefits of addressing such mixtures through a bi-Gaussian extension of the ensemble Kalman filter (BGEnKF). The BGEnKF is compared against the commonly used ensemble Kalman filter (EnKF) using perfect model observing system simulated experiments (OSSEs) with a realistic weather model (the Weather Research and Forecast model). Synthetic all-sky infrared radiance observations are assimilated in this study. In these OSSEs, the BGEnKF outperforms the EnKF in terms of the horizontal wind components, temperature, specific humidity, and simulated upper tropospheric water vapor channel infrared brightness temperatures. This study is one of the first to demonstrate the potential of a Gaussian mixture model EnKF with a realistic weather model. Our results thus motivate future research toward improving numerical Earth system predictions though explicitly handling mixture statistics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Disappearance of Superconductivity Due to Vanishing Coupling in the Overdoped Bi 2 Sr 2 CaCu 2 O 8+δ

In cuprate superconductors, superconductivity is accompanied by a ‘plethora of orders’, and phenomena that complicate our understanding of superconductivity in these materials. Prominent in the underdoped regime, these orders weaken or vanish with overdoping. Here, we approach the superconducting phase from the more conventional overdoped side. We present angle-resolve photoemission spectroscopy studies of Bi 2 Sr 2 CaCu 2 O 8+δ , cleaved and annealed in ozone to increase the doping all the way to the non-superconducting phase. In this work, we show that the mass renormalizationin the antinodal region of the Fermi surface, associated with the structure in the quasiparticle self-energy, that possibly reflects the pairing, weakens with doping and completely disappears precisely where superconductivity disappears the evidence that in the overdoped regime, superconductivity is determined by the coupling strength. A doping dependence and an abrupt disappearance above the transition temperature eliminate phononic mechanism of the observed renormalization and identify the onset of spin-fluctuations as its likely origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nucleation-controlled growth of superior lead-free perovskite Cs 3 Bi 2 I 9 single-crystals for high-performance X-ray detection

The organic-inorganic hybrid lead halide perovskites have emerged as a series of star materials for solar cells, lasers and detectors. However, the issues raised by the toxic lead element and marginal stability due to the volatile organic components have severely limited their potential applications. In this work, we develop a nucleation-controlled solution method to grow large size high-quality Cs 3 Bi 2 I 9 perovskite single crystals (PSCs). Using the technique, we harvest some centimeter-sized single crystals and achieved high device performance. We find that X-ray detectors based on PSCs exhibit high sensitivity of 1652.3 μC Gy air -1 cm -2 and very low detectable dose rate of 130 nGy air s -1 , both desired in medical diagnostics. In addition, its outstanding thermal stability inspires us to develop a high temperature X-ray detector with stable response at up to 100 °C. Furthermore, PSCs exhibit high X-ray imaging capability thanks to its negligible signal drifting and extremely high stability.

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

Critical nematic correlations throughout the superconducting doping range in Bi 2–z Pb z Sr 2–y La y CuO 6+x

Charge modulations have been widely observed in cuprates, suggesting their centrality for understanding the high-T c superconductivity in these materials. However, the dimensionality of these modulations remains controversial, including whether their wavevector is unidirectional or bidirectional, and also whether they extend seamlessly from the surface of the material into the bulk. Material disorder presents severe challenges to understanding the charge modulations through bulk scattering techniques. We use a local technique, scanning tunneling microscopy, to image the static charge modulations on Bi 2–z Pb z Sr 2–y La y CuO 6+x . The ratio of the phase correlation length ξ CDW to the orientation correlation length ξ orient points to unidirectional charge modulations. By computing new critical exponents at free surfaces including that of the pair connectivity correlation function, we show that these locally 1D charge modulations are actually a bulk effect resulting from classical 3D criticality of the random field Ising model throughout the entire superconducting doping range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Vortex entropy and superconducting fluctuations in ultrathin underdoped Bi 2 Sr 2 CaCu 2 O 8+x superconductor

Vortices in superconductors can help identify emergent phenomena but certain fundamental aspects of vortices, such as their entropy, remain poorly understood. Here, we study the vortex entropy in underdoped Bi 2 Sr 2 CaCu 2 O 8+x by measuring both magneto-resistivity and Nernst effect on ultrathin flakes (≤2 unit-cell). We extract the London penetration depth from the magneto-transport measurements on samples with different doping levels. It reveals that the superfluid phase stiffness p s scales linearly with the superconducting transition temperature T c , down to the extremely underdoped case. On the same batch of ultrathin flakes, we measure the Nernst effect via on-chip thermometry. Together, we obtain the vortex entropy and find that it decays exponentially with T c or p s . We further analyze the Nernst signal above T c in the framework of Gaussian superconducting fluctuations. The combination of electrical and thermoelectric measurements in the two-dimensional limit provides fresh insight into high temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Observation of spin-momentum locked surface states in amorphous Bi 2 Se 3

Crystalline symmetries have played a central role in the identification and understanding of quantum materials. Here we investigate whether an amorphous analogue of a well-known three-dimensional strong topological insulator has topological properties in the solid state. We show that amorphous Bi 2 Se 3 thin films host a number of two-dimensional surface conduction channels. Our angle-resolved photoemission spectroscopy data are consistent with a dispersive two-dimensional surface state that crosses the bulk gap. Spin-resolved photoemission spectroscopy shows this state has an anti-symmetric spin texture, confirming the existence of spin-momentum locked surface states. We discuss these experimental results in light of theoretical photoemission spectra obtained with an amorphous topological insulator tight-binding model, contrasting it with alternative explanations. In conclusion, the discovery of spin-momentum locked surface states in amorphous materials opens a new avenue to characterize amorphous matter and triggers the search for an overlooked subset of quantum materials outside of current classification schemes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interplay of negative electronic compressibility and capacitance enhancement in lightly-doped metal oxide Bi 0.95 La 0.05 FeO 3 by quantum capacitance model

Light-sensitive capacitance variation of Bi 0.95 La 0.05 FeO 3 (BLFO) ceramics has been studied under violet to UV irradiation. The reversible capacitance enhancement up to 21% under 405 nm violet laser irradiation has been observed, suggesting a possible degree of freedom to dynamically control this in high dielectric materials for light-sensitive capacitance applications. By using ultraviolet photoemission spectroscopy (UPS), we show here that exposure of BLFO surfaces to UV light induces a counterintuitive shift of the O 2p valence state to lower binding energy of up to 243 meV which is a direct signature of negative electronic compressibility (NEC). A decrease of BLFO electrical resistance agrees strongly with the UPS data suggesting the creation of a thin conductive layer on its insulating bulk under light irradiation. By exploiting the quantum capacitance model, we find that the negative quantum capacitance due to this NEC effect plays an important role in this capacitance enhancement.

36 MATERIALS SCIENCE↗