Hydroxide promotes ion pairing in the NaNO[subscript 2]?NaOH?H[subscript 2]O system
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Graham, Trent R.↗
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Proton surface exchange kinetics of perovskite triple conducting thin films for protonic ceramic electrolysis cells: BaPr 0.9 Y 0.1 O 3–δ (BPY) vs. Ba 1–x Co 0.4 Fe 0.4 Zr 0.1 Y 0.1 O 3–δ (BCFZY)
Protonic ceramic electrolysis cells (PCECs) are an attractive green H 2 production technology, given their intermediate-temperature operating range and ability to produce dry H 2 . However, PCECs will benefit from development of more efficient and durable “triple conducting” anodes where steam is split, H incorporated, and oxygen evolved. In this work, we evaluated the kinetics of the steam-splitting/H incorporation reaction on BaPr 0.9 Y 0.1 O 3–δ (BPY) in comparison to the benchmark Ba 1–x Co 0.4 Fe 0.4 Z r0.1 Y 0.1 O 3–δ (BCFZY) composition, replacing most of the transition metal elements (Co, Fe, Zr) with the lanthanide Pr. We prepared geometrically well-defined perovskite BPY and BCFZY thin films by pulsed laser deposition and performed simultaneous optical transmission relaxation and electrical conductivity relaxation measurements at 400–500 °C in 0.21 atm O 2 during switching of the steam partial pressure to isolate and compare their proton surface exchange coefficients (k). The k values of BPY were comparable to those of BCFZY and more stable over time. According to angle-resolved XPS and STEM-EDS mapping of FIB cross-sections, the surface of BPY exhibited Ba enrichment, Pr deficiency, and Si contamination. In contrast, BCFZY exhibited Ba deficiency throughout, no obvious surface segregation, and less Si contamination. The Ba segregation on the BPY film appears to have promoted steam splitting/H incorporation kinetics even though the more basic surface reacted with the acidic environmental SiO x H y . Faster kinetics observed on stoichiometric BCFZY vs. Ba-deficient BCFZY confirmed the benefit of a high A-site Ba concentration. This result contrasts with most work on perovskites applied in solid oxide electrolysis cell anodes, in which A-site segregation is considered deleterious for surface reaction kinetics.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions
Aims. We present an improved database of temperature-dependent rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions. The database includes 231 transitions between the lower para-states of H 2 O and 210 transitions between its lower ortho-states (up toj= 7) and can be employed in cometary and planetary applications up to the temperature of 1000 K. Methods. We developed and applied a new general method that allows the generation of rate coefficients for excitation and quenching processes that automatically satisfy the principle of microscopic reversibility and also helps to cover the range of low collision energies by interpolation of cross sections between the process threshold and the computed data points. Results. We find that in the range of intermediate temperatures, 150
Astronomy & Astrophysics↗
Intrinsic exchange bias from interfacial reconstruction in an epitaxial Ni x Co y Fe 3– x – y O 4 (111)/α-Al 2 O 3 (0001) thin film family
Intrinsic exchange bias is known as the unidirectional exchange anisotropy that emerges in a nominally single-component ferro-(ferri-)magnetic system. In this work, with magnetic and structural characterizations, we demonstrate that intrinsic exchange bias is a general phenomenon in (Ni, Co, Fe)-based spinel oxide films deposited on α-Al 2 O 3 (0001) substrates, due to the emergence of a rock-salt interfacial layer consisting of antiferromagnetic CoO from interfacial reconstruction. We show that in Ni x Co y Fe 3–x–y O 4 (111)/α-Al 2 O 3 (0001) films, intrinsic exchange bias and interfacial reconstruction have consistent dependences on Co concentration y, while the Ni and Fe concentration appears to be less important. This work establishes a family of intrinsic exchange bias materials with great tunability by stoichiometry and highlights the strategy of interface engineering in controlling material functionalities.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La 3 Ni 2 O 6 under pressure: Different role of d 3 z 2 - r 2 orbital compared with La 3 Ni 2 O 7
The recent discovery of superconductivity in bilayer La 3 Ni 2 O 7 (327-LNO) under pressure stimulated much interest in layered nickelates. However, superconductivity was not found in another bilayer nickelate system, La 3 Ni 2 O 6 (326-LNO), even under pressure. To understand the similarities and differences between 326-LNO and 327-LNO, using density functional theory and the random phase approximation (RPA), we systematically investigate 326-LNO under pressure. The large crystal-field splitting between the e g orbitals caused by the missing apical oxygen moves the d 3z 2 -r 2 orbital farther away from the Fermi level, implying that the d 3z 2 -r 2 orbital plays a less important role in 326-LNO than in 327-LNO. This also results in a smaller bandwidth for the d x 2 -y 2 orbital and a reduced energy gap for the bonding-antibonding splitting of the d 3z 2 -r 2 orbital in 326-LNO, as compared to 327-LNO. Moreover, the in-plane hybridization between the d x 2 -y 2 and d 3z 2 -r 2 orbitals is found to be small in 326-LNO, while it is much stronger in 327-LNO. Furthermore, the low-spin ferromagnetic state is found to be the likely ground state in 326-LNO under high pressure. The weak interlayer coupling suggests that s ± -wave pairing is unlikely in 326-LNO. The robust in-plane ferromagnetic coupling also suggests that d-wave superconductivity, which is usually caused by antiferromagnetic fluctuations of the d x 2 -y 2 orbital, is also unlikely in 326-LNO. These conclusions are supported by our many-body RPA calculations of the pairing behavior. Additionally, contrasting with the cuprates, for the bilayer cuprate HgBa 2 CaCu 2 O 6 , we find a strong self-doping effect of the d x 2 -y 2 orbital under pressure, with the charge of Cu being reduced by approximately 0.13 electrons from 0 GPa to 25 GPa. In contrast, we do not observe such a change in the electronic density in 326-LNO under pressure, establishing another important difference between the nickelates and the cuprates.
36 MATERIALS SCIENCE↗
Frustration-mediated crossover from long-range to short-range magnetic ordering in Y 1 – x L u x BaC o 4 O 7
The RBaCo 4 O 7 system is a prototype geometrically frustrated magnet in which kagome planes and triangular layers of Co-O tetrahedra interleave. For R=Y, an antiferromagnetic ground state is realized due to a frustration-breaking trigonal-orthorhombic phase transition. For R = Lu, however, a long-range ordered state has rarely, if ever, been reported despite a similar symmetry-breaking transition, albeit at a significantly lower temperature. To explore this dichotomy, we present a comprehensive magnetic and structural phase diagram for Y 1-x Lu x BaCo 4 O 7 , established through complementary neutron diffraction and magnetization measurements. Our results outline the phase evolution of the nuclear structures in response to changes in composition and temperature. Further, the temperature of the trigonal (P31c) to orthorhombic (Pbn2 1 ) transition, T s1 , decreases monotonically with increasing Lu content from 310 K for x = 0.0 to 110 K for x = 1.0. In Lu-rich compositions (0.7 ≤ x ≤ 1.0), first-order structural transitions are observed with coexisting and competing orthorhombic Pbn2 1 and metastable monoclinic Cc phases. For the magnetically ordered Y-rich compositions, T- and x-dependent refinements of the magnetic structure reveal an antiferromagnetic “ribbonlike” arrangement of Co spin pairs in both the triangular and the kagome layers. A gradual suppression of long-range magnetic order is observed with increasing the Lu content, accompanied by the development of short-range magnetic correlations present in all the samples.
36 MATERIALS SCIENCE↗
Charge transfer coefficients for the O+/2D/ + N2 and O+/2D/ + O2 excited ion reactions at thermal energy
An investigation of the reactions of metastable O(+) ions and O2 using drift tube-mass spectrometer techniques is presented. It was shown that ordinary charge transfer is the dominant reaction branch in both cases; it occurs with large rate coefficients, k(N2) = (8 + or - 2) x 10 to the -10th cu cm/s and k(O2) = (7 + or - 2) x 10 to the -10th cu cm/s, at an effective ion temperature of about 550 K. The reaction He(+) + O2 is used as a source of metastable O(+) ions, and evidence is presented that the O(+) ions so produced are in the 2D state rather than the 2P state. The results are compared with previous measurements, and inferences drawn from ionospheric observations.
Johnsen, R.↗
The quenching rate of O(1D) by O(3P)
The rate coefficient for the quenching of O(1D) by O(3P) has recently been calculated by Yee et al. (1985). Their results indicate that quenching by atomic oxygen should not be ignored in the analysis of the 6300 A emission airglow. Data obtained by the Visible Airglow Experiment on board the AE satellites have been reanalyzed to determine the quenching rate of O(1D) by atomic oxygen. The results of this analysis are presented.
Abreu, V. J.↗
Remote sensing of atomic oxygen - Some observational difficulties in the use of the forbidden O I 1173-A and O I 1641-A transitions
Recent sounding rocket and satellite studies suggest that simultaneous measurements of the O I 989-A and 1304-A resonance lines and of the forbidden 1172.6-A and 1641.3-A transitions would form the basis of a useful remote sensing technique for measuring the O I density and optical opacity of a planetary or stellar atmosphere. Because the 1172.6-A and 1641.3-A emissions are weak lines and are emitted in a wavelength region rich in spectral features, it is important to determine whether typical flight instruments can make measurements with sufficient spectral purity so that the remote sensing observations will yield accurate results. A detailed, high-resolution study of the far UV emission features in the regions surrounding the atomic oxygen transitions at 1172.6 and 1641.3 A was made. These spectra, which were excited by electron impact on O2 and N2, are presented in an attempt to display some potential sources of interference in aeronomical measurements of these O I lines. Both atomic and molecular emissions are found, and the spectral resolution necessary to make unambiguous measurements is discussed.
Erdman, P. W.↗
O-16 excesses in Murchison and Murray hibonites - A case against a late supernova injection origin of isotopic anomalies in O, Mg, Ca, and Ti
Ion probe measurements of the oxygen isotopic composition of seven hibonite samples from the CM chondrites Murchison and Murray are reported. All samples show large O-16 excesses relative to terrestrial oxygen. The data for all samples plot along the carbonaceous chondrite O-16-rich mixing line and show no evidence for isotopic mass fractionation effects characteristic of FUN inclusions. These hibonites have the largest Ca-48 and Ti-50 isotopic anomalies found to date; thus there is no intrinsic relationship between anomalies of a nucleosynthetic origin and isotopic mass fractionation effects. The large O-16 excess seen in the sample with the largest measured Ca-48 and Ti-50 depletions argues against a late injection of exotic material from a nearby supernova as a source for the isotopic anomalies.
Fahey, A. J.↗
O(1)S 557.7nm and O(1)D 630 nm emissions in shuttle thruster plumes
Radiation resulting from interaction between the effluent cloud of a space shuttle thruster and the ambient atmosphere was observed with a spectograph aboard the shutttle. The spectral measurements were made between 400 and 800 nm with a resolutoion of 3 nm. The primary emissions are identified as NO2, HNO, O(1)D, and O(1)S. These are the first observations od O(1)S emission in the shuttle plume. These data are compared with the previous measurements, and possible excitation mechanisms are discussed. The results are also compared with a Monte Carlo simulation of thruster plume-atmosphere interaction radiation.
Viereck, R. A.↗
Far-ultraviolet Spectroscopy of O+o Binaries in the Magellanic Clouds
We report FUSE observations in 2006 of three O-type, double-lined spectroscopic binaries in the Magellanic Clouds. Their binary nature was discovered only in the past several years. The systems have very short periods (1.4 - 2.25 days), represent rare, young evolutionary stages of massive stars and binaries, and provide a unique glimpse at some of the most massive systems that form in dense clusters of massive stars. The systems are: LH54-425 in the LMC (O3IIIf + O6V, P=2.25 days, approx. 100+50 Mo), J053441-693139 in the LMC (O2-31f + O6V, P=1.4 days, 41+27 Mo), and Hodge 53-47 in the SMC (O6V + O4-5IIIf, P=2.2 days, 24+14 Mo, where the O4 star appears to be less massive than the O6 star). These represent some of the most massive binaries known. Their short periods indicates that wind interaction and mass transfer are likely important factors in their evolution. The spectra provide quantitative and systematic studies of phase-dependent stellar wind properties, wind collision effects in O+O binaries at lower metallicities, improved radial velocity curves, and FUV spectrophotometric changes as a function of orbital phase.
Sonneborn, George↗
Kinetics of simultaneous hydrodesulfurization and hydrodenitrogenation reactions using CoMoP/Al 2 O 3 and NiMoP/Al 2 O 3
Hydrodesulfurization (HDS) is a key reaction to achieve diesel production at the specified low sulfur levels and is highly affected by a competing reaction involving nitrogen removal through hydrodenitrogenation (HDN). This work evaluated kinetic parameters of simultaneous reactions of HDS of dibenzothiophene (DBT) and HDN of quinoline (Q) using CoMoP/Al 2 O 3 and NiMoP/Al 2 O 3 catalysts under operational conditions that allow a wide range of reagent conversions. Estimated parameters were evaluated using rigorous statistical 2 analysis. Good fits for the evaluated experimental data were provided by both power-law and Langmuir-Hinshelwood models. Further, turnover frequency values highlight adsorption and competition effects between nitrogen-containing compounds and sulfur-containing compounds. NiMoP catalyst showed higher hydrogenating power than CoMoP, with larger absolute value of the estimated adsorption enthalpy (-120 kJ.mol -1 for NiMoP and -75 kJ.mol -1 for CoMoP), suggesting strong adsorption of nitrogen compounds. A catalyst with more hydrogenating power is also more capable of performing both HDN and HDS reactions simultaneously.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Over 11% Efficient Eco-Friendly Kesterite Solar Cell: Effects of S-Enriched Surface of Cu2ZnSn(S,Se)4 Absorber and Band Gap Controlled (Zn,Sn)O Buffer
For high efficiency kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cell, CdS thin film was usually used as a buffer layer. However, due to the toxicity of Cd and pollution problems involved from the solution-based chemical bath deposition, eco-friendly high efficiency CZTSSe solar cell with Cd-free buffer is necessary. As an Cd-free buffer layer, we investigated (Zn,Sn)O (ZTO) film deposited by sputtering method. In order to achieve high power conversion efficiency, we controlled energy band gaps of CZTSSe absorber as well as ZTO buffer, which was required to optimize conduction band offset (CBO) between the absorber and the buffer and to increase open circuit voltage (Voc) and fill factor (FF). The CBO was optimized by controlling the band gap of ZTO. By varying the Sn/(Zn + Sn) ratio and its deposition temperature, band gap of ZTO was successfully adjusted. Experimental and computational calculation results showed that solar cell performance was strongly affected by the CBO between absorber and buffer. Besides CBO matching, larger band gap of ZTO improved short circuit current density (Jsc) with enhanced external quantum efficiency value in blue photon spectrum range. As an additional way to improve power conversion efficiency of solar cell, band graded CZTSSe absorber was developed by using spray-based two-step process. The sprayed CZTSSe film was engineered to have S-enriched surface, which makes surface band gap widened and surface passivated, and resultantly increases Voc, Jsc and fill factor (FF). By controlling band gaps of both CZTSSe absorber and ZTO buffer, we obtained 11.22% environment-friendly CZTSSe solar cell without MgF2 anti-reflection coating.
(Zn↗
16 O + 16 O fusion at sub-coulomb energies
A simple optical model (OPM) method using non-monotonic (NM) potentials characterized by a repulsive core from the microscopic theory of the Pauli-led energy-density functional (EDF) has been developed to investigate the 16 O + 16 O fusion at sub-Coulomb energies relevant to the oxygen burning. Here, the study involves the analysis of the experimental fusion cross-section (FCS) data in energy range 6.92 ≤ E cm ≤ 13.83 MeV, which includes the Coulomb barrier region E cm = 10.0–11.92 MeV. Apart from an excellent description of the existing FCS data in the studied energy range, the associated hindrance, characterized by the S-factor reaching a maximum and then gradually falling off at lower energies, so far suggested empirically for the system, is reproduced down to 4 MeV for the first time in the simple OPM. An S-factor maximum of S 0 = 3.15 × 10 25 MeV.b at E 0 = 7.14 MeV is observed with T ≃ 2.6 GK, which conforms to the values reported for quiescent and explosive burning. Our reaction rate, deduced from the NM potential, compares well with the Caughlan and Fowler data. Dominant partial waves implicit in the observed maximum S-factor in the studied Gamow range are also explored. Our present findings, with the success of NM potentials, suggest that the nucleus–nucleus potential is non-monotonic.
16O+16O↗
Experimental investigations of low-energy (4 to 40 eV) collisions of O(-)(P2) ions and O(P3) atoms with surfaces
Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O(-)) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.
Chutjian, A.↗
Experimental investigations of low-energy (4-40 eV) collisions of O-(2P) ions and O(3P) atoms with surfaces
Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O/-/) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.
Orient, O. J.↗
Reconstruction and Measurement of $\mathcal{O}$(100) MeV Energy Electromagnetic Activity from $\pi^0 \rightarrow \gamma\gamma$ Decays in the MicroBooNE LArTPC
We present results on the reconstruction of electromagnetic (EM) activity from photons produced in charged current νμ interactions with final state π0s. We employ a fully-automated reconstruction chain capable of identifying EM showers of &calO;(100) MeV energy, relying on a combination of traditional reconstruction techniques together with novel machine-learning approaches. These studies demonstrate good energy resolution, and good agreement between data and simulation, relying on the reconstructed invariant π0 mass and other photon distributions for validation. The reconstruction techniques developed are applied to a selection of νμ + Ar → μ + π0 + X candidate events to demonstrate the potential for calorimetric separation of photons from electrons and reconstruction of π0 kinematics.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗