Ultrafast proton-assisted tunneling through ZrO 2 in dye-sensitized SnO 2 -core/ZrO 2 -shell films
Exposing ZrO 2 to strong acid induces protonic defects that permit ultrafast electron transfer through at least 4 nm of ZrO 2 .
Chemistry↗
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Results for “JASON”
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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Mechanical, thermal, and electrochemical properties of Pr doped ceria from wafer curvature measurements
This work demonstrates, for the first time, that a variety of disparate and technologically-relevent thermal, mechanical, and electrochemical oxygen-exchange material properties can all be obtained from in situ , current-collector-free wafer curvature measurements.
Ma, Yuxi↗
Thermochemical wastewater valorization via enhanced microbial toxicity tolerance
Thermochemical (TC) biomass conversion processes such as pyrolysis and liquefaction generate considerable amounts of wastewater, which often contains highly toxic compounds that are incredibly challenging to convert via standard wastewater treatment approaches such as anaerobic digestion. These streams represent a cost for TC biorefineries, and a potential valorization opportunity, if effective conversion methods are developed. The primary challenge hindering microbial conversion of TC wastewater is toxicity. In this study, we employ a robust bacterium, Pseudomonas putida , with TC wastewater streams to demonstrate that aldehydes are the most inhibitory compounds in these streams. Proteomics, transcriptomics, and fluorescence-based immunoassays of P. putida grown in a representative wastewater stream indicate that stress results from protein damage, which we hypothesize is a primary toxicity mechanism. Constitutive overexpression of the chaperone genes, groEL, groES, and clpB, in a genome-reduced P. putida strain improves the tolerance towards multiple TC wastewater samples up to 200-fold. Moreover, the concentration ranges of TC wastewater are industrially relevant for further bioprocess development for all wastewater streams examined here, representing different TC process configurations. Furthermore, we demonstrate proof-of-concept polyhydroxyalkanoate production from the usable carbon in an exemplary TC wastewater stream. Altogether, this study demonstrates that protein quality control machinery and repair mechanisms can enable substantial gains in microbial tolerance to highly toxic substrates, including heterogeneous waste streams. When coupled to other metabolic engineering advances such as expanded substrate utilization and enhanced product accumulation, this study generally enables new strategies for biological conversion of highly-toxic, organic-rich wastewater via engineered aerobic monocultures or designer consortia.
09 BIOMASS FUELS↗
Effect of CeO 2 nanomaterial surface functional groups on tissue and subcellular distribution of Ce in tomato ( Solanum lycopersicum )
Using recent advances in X-ray microscopy, this study aimed to elucidate mechanisms of uptake, subcellular distribution, and translocation of functionalized CeO 2 MNM (manufactured nanomaterials), having different charges, by tomato plants ( Solanum lycopersicum cv Micro-Tom).
Li, Jieran↗
Anaerobic membrane gas extraction facilitates thermophilic hydrogen production from Clostridium thermocellum
Clostridium thermocellum is among the most efficient bacteria to convert cellulosic biomass into H 2 during dark fermentation.
Singer, Scott↗
A new non-diffusional gas bubble production route in used nuclear fuel: Implications for fission gas release, cladding corrosion, and next generation fuel design
The relationship between noble metal phase particles and fission gas bubble production in used nuclear fuel is described. The majority of Te atoms within noble metal phase undergo radioactive decay to form stable Xe within a few hours after particle formation. This results in the production of clusters of Xe atoms contained within the solid metal matrix exhibiting an equivalent gas bubble pressure approaching 1 GPa. These high pressure bubbles are stabilized by the UO2 within the bulk of the fuel. However, when these bubbles form near the fuel / cladding interface, in combination with local and temporal damage caused by fission recoil, they are capable of overcoming the fracture strength of the UO2 and rupturing catastrophically. The force of the resulting bubble rupture is sufficient to eject noble metal phase particles several microns into the cladding. This proposed mechanism explains the observance of noble metal phase in cladding and is consistent with a host of morphological features found near the fuel / cladding interface.
Schwantes, Jon M.↗
An interface stabilized perovskite solar cell with high stabilized efficiency and low voltage loss
Stabilization of the crystal phase of inorganic/organic lead halide perovskites is critical for their high performance optoelectronic devices. However, due to the highly ionic nature of perovskite crystals, even phase stabilized polycrystalline perovskites can undergo undesirable phase transitions when exposed to a destabilizing environment. While various surface passivating agents have been developed to improve the device performance of perovskite solar cells, conventional deposition methods using a protic polar solvent, mainly isopropyl alcohol (IPA), results in a destabilization of the underlying perovskite layer and an undesirable degradation of device properties. We demonstrate the hidden role of IPA in surface treatments and develop a strategy in which the passivating agent is deposited without destabilizing the high quality perovskite underlayer. This strategy maximizes and stabilizes device performance by suppressing the formation of the perovskite δ-phase and amorphous phase during surface treatment, which is observed using conventional methods. Our strategy also effectively passivates surface and grain boundary defects, minimizing non-radiative recombination sites, and preventing carrier quenching at the perovskite interface. This results in an open-circuit-voltage loss of only ~340 mV, a champion device with a power conversion efficiency of 23.4% from a reverse current–voltage scan, a device with a record certified stabilized PCE of 22.6%, and enhanced operational stability. In addition, our perovskite solar cell exhibits an electroluminescence external quantum efficiency up to 8.9%.
14 SOLAR ENERGY↗
Electrical decoupling of microbial electrochemical reactions enables spontaneous H 2 evolution
The uphill reaction of H 2 evolution was made possible by harvesting wastewater energy using electrical circuiting.
Chen, Xi↗
Lithium vanadium oxide (Li 1.1 V 3 O 8 ) thick porous electrodes with high rate capacity: utilization and evolution upon extended cycling elucidated via operando energy dispersive X-ray diffraction and continuum simulation
The phase distribution of lithiated LVO in thick (~500 μm) porous electrodes (TPEs) designed to facilitate both ion and electron transport was determined using synchrotron-based operando energy dispersive X-ray diffraction (EDXRD). Probing 3 positions in the TPE while cycling at a 1C rate revealed a homogeneous phase transition across the thickness of the electrode at the 1st and 95th cycles. Additionally, continuum modelling indicated uniform lithiation across the TPE in agreement with the EDXRD results and ascribed decreasing accessible active material to be the cause of loss in delivered capacity between the 1st and 95th cycles. The model was supported by the observation of significant particle fracture by SEM consistent with loss of electrical contact. Overall, the combination of operando EDXRD, continuum modeling, and ex situ measurements enabled a deeper understanding of lithium vanadium oxide transport properties under high rate extended cycling within a thick highly porous electrode architecture.
25 ENERGY STORAGE↗
Lattice expansion and ligand twist during CO2 adsorption in flexible Cu bipyridine metal–organic frameworks
Flexible metal–organic frameworks (MOFs) can show exceptional selectivity and capacity for adsorption of CO 2 . The incorporation of CO 2 into flexible MOFs that have Cu 2+ coordination centers and organic pillar ligands is accompanied by a distortion of the framework lattice arising from chemical interactions between these components and CO 2 molecules. CO 2 adsorption yields a reproducible lattice expansion that is enabled by the rotation of the pillar ligands. The structures of Cu 2 (pzdc) 2 (bpy) and Cu 2 (pzdc) 2 (bpe), CPL-2 and CPL-5, were evaluated using in situ synchrotron X-ray powder diffraction at room temperature at CO 2 gas pressures up to 50 atm. The structural parameters exhibit hysteresis between pressurization and depressurization. The pore volume within CPL-2 and CPL-5 increases at elevated CO 2 pressure due to a combination of the pillar ligand rotation and the overall expansion of the lattice. Volumetric CO 2 adsorption measurements up to 50 atm reveal adsorption behavior consistent with the structural results, including a rapid uptake of CO 2 at low pressure, saturation above 20 atm, and hysteresis evident as a retention of CO 2 during depressurization. Finally, a significantly greater CO 2 uptake is observed in CPL-5 in comparison with predictions based on CO 2 pressure-induced expansion of the pore volume available for adsorption, indicating that the flexibility of the CPL structures is a key factor in enhancing adsorption capacity.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Energy storage mechanisms in vacancy-ordered Wadsley–Roth layered niobates
Layered niobates with vacancy-ordered Wadsley–Roth structures were investigated as Li-ion battery anodes. Using operando and ex situ methods and DFT, we identify an intercalation mechanism dominated by Li-diffusion kinetics and layer evolution.
McColl, Kit↗
Compositional influence of local and long-range polarity in the frustrated pyrochlore system Bi 2− x RE x Ti 2 O 7 (RE = Y 3+ ,Ho 3+ )
Cation off-centering is crystallography frustrated in the pyrochlore but exhibits local ordering.
Bailey, Owen↗
Classification of gaseous UF 6 assay by femtosecond LIBS in the 424.4 nm spectral region using numerical HOGSVD-DTW features
This technical note presents experimental results using numerical features of fs-LIBS data to classify the assay value of a gaseous UF 6 material. Here, the data-driven feature vectors are computed by Higher Order Generalized Singular Value Decomposition (HOGSVD) and Dynamic Time Warp (DTW). The method achieves 96.97% accuracy in spectral classification testing with fs-LIBS samples obtained from a UF 6 material with five known assay values ranging from 0.287% to 61.740%, with 100% accuracy for the four largest assay values ranging from 4.615% to 61.740%.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Topotactic Phase Transformation of Lithiated Spinel to Layered LiMn0.5Ni0.5O2: The Interaction of 3-D and 2-D Li-ion Diffusion
This study investigates the structural evolution of LiMn0.5Ni0.5O2 cathode materials for Li-ion batteries as a function of synthesis temperature and its effect on electrochemical performance. It is demonstrated that, as the synthesis temperature increases from 400 to 900 ?C, a gradual topotactic transformation occurs between a lithiated spinel structure, denoted herein as “lithium-excess spinel” LxS-LiMn0.5Ni0.5O2 (or LxS-LMNO), and the well-known layered LiMn0.5Ni0.5O2 structure prepared at high temperature, HT-LiMn0.5Ni0.5O2 (HT-LMNO). The electrochemical capacity of the LiMn0.5Ni0.5O2 electrodes follows a parabolic trend with increasing synthesis temperature, which is attributed primarily to the gradual transformation of 3-dimensional (3-D) to 2-dimensional (2-D) diffusion pathways for the Li ions. When synthesized at 400 °C, LxS-LiMn0.5Ni0.5O2 electrodes perform well, benefitting from the 3-D network of channels within the LxS structure. By contrast, when prepared at 500-700 °C, LiMn0.5Ni0.5O2 electrodes operate poorly, which is attributed to the formation of locally disordered structural arrangements that impede Li-ion diffusion. Such an increase in local disorder in the mid-temperature synthesis range is attributed to the structural frustration between the lithium-excess spinal and layered end-members. The transformation from the locally disordered to more ordered layered components between 700 °C and 900 °C enhances electrochemical performance. The study opens new avenues for designing next-generation Mn-rich cathode materials by fine-tuning the synthesis conditions as well as the composition and structure of LxS-LMNO electrodes.
energy storage↗
The MAJORANA DEMONSTRATOR: A Search for Neutrinoless Double-beta Decay of Germanium-76
The observation of neutrinoless double-beta decay would determine whether the neutrino is a Majorana particle and provide information on the absolute scale of neutrino mass. The MAJORANA Collaboration is constructing the DEMONSTRATOR, an array of germanium detectors, to search for neutrinoless double-beta decay of 76Ge. The DEMONSTRATOR will contain 40 kg of germanium; up to 30 kg will be enriched to 86% in 76Ge. The DEMONSTRATOR will be deployed deep underground in an ultra-low-background shielded environment. Operation of the DEMONSTRATOR aims to determine whether a future tonne-scale germanium experiment can achieve a background goal of one count per tonne-year in a 4-keV region of interest around the 76Ge neutrinoless double-beta decay Q-value of 2039 keV.
Schubert, Alexis G.↗
Adsorption calorimetry during metal vapor deposition on single crystal surfaces: Increased flux, reduced optical radiation, and real-time flux and reflectivity measurements
Thin films of metals and other materials are often grown by physical vapor deposition. To understand such processes, it is desirable to measure the adsorption energy of the deposited species as the film grows, especially when grown on single crystal substrates where the structure of the adsorbed species, evolving interface, and thin film are more homogeneous and well-defined in structure. Our group previously described in this journal an adsorption calorimeter capable of such measurements on single-crystal surfaces under the clean conditions of ultrahigh vacuum [J. T. Stuckless, N. A. Frei, and C. T. Campbell, Rev. Sci. Instrum. 69, 2427 (1998)]. Here we describe several improvements to that original design that allow for heat measurements with ∼18-fold smaller standard deviation, greater absolute accuracy in energy calibration, and, most importantly, measurements of the adsorption of lower vapor-pressure materials which would have previously been impossible. These improvements are accomplished by: (1) using an electron beam evaporator instead of a Knudsen cell to generate the metal vapor at the source of the pulsed atomic beam, (2) changing the atomic beam design to decrease the relative amount of optical radiation that accompanies evaporation, (3) adding an off-axis quartz crystal microbalance for real-time measurement of the flux of the atomic beam during calorimetry experiments, and (4) adding capabilities for in situ relative diffuse optical reflectivity determinations (necessary for heat signal calibration). These improvements are not limited to adsorption calorimetry during metal deposition, but also could be applied to better study film growth of other elements and even molecular adsorbates.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Matrix elements for type 1 unitary irreducible representations of the Lie superalgebra gl(m|n)
Using our recent results on eigenvalues of invariants associated to the Lie superalgebra gl(m|n), we use characteristic identities to derive explicit matrix element formulae for all gl(m|n) generators, particularly non-elementary generators, on finite dimensional type 1 unitary irreducible representations. We compare our results with existing works that deal with only subsets of the class of type 1 unitary representations, all of which only present explicit matrix elements for elementary generators. Our work therefore provides an important extension to existing methods, and thus highlights the strength of our techniques which exploit the characteristic identities.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Structural and electronic modification of photovoltaic SnS by alloying
Emergence of a terawatt scalable photovoltaic (PV) thin film technology is currently impeded by the limited supply of relatively rare elements like In or Te, which has spurred active research in recent years on earth-abundant PV materials. Instead of searching for alternative PV materials, we approach the problem here by structural modification through alloying of a known PV material, namely, tin sulfide. Although SnS is a strong visible light absorber that is naturally p-doped, its indirect band gap reduces the open circuit voltage of SnS-based solar cells. The anisotropic crystal structure results in undesirable anisotropic transport properties. Based on the observation that the isoelectronic sulfides MgS, CaS, and SrS assume the rock-salt structure, we use ab initio calculations to explore the structure and electronic properties of metastable Sn{sub 1−x}(II){sub x}S (II = Mg, Ca, Sr) alloys, finding that the isotropic rock-salt phase is stabilized above x = 0.2–0.3, and predicting direct band gaps in the range of interest for PV applications, i.e., 0.6–1.5 eV for Ca and Sr alloying. We subsequently synthesized such Sn{sub 1−x}(Ca){sub x}S films by pulsed laser deposition, confirmed the cubic rock-salt structure, and observed optical band gaps between 1.1 and 1.3 eV. These results highlight the potential of structural modification by alloying as a route to widen the otherwise limited materials base for promising earth-abundant materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗