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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Nuclear Data Sheets for A=31

Nuclear spectroscopic information for the known nuclides of mass 31 (F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar) has been evaluated. A useful source of many of the Adopted Levels for {sup 31}P and {sup 31}S is presented in Endt's evaluations (1998En04,1990En08,1978En02,1973EnVA), however all the adopted properties of levels and gamma rays have been re-evaluated in this work. The data sets for reactions and decays, including all available gamma–ray data, are based mostly on the original literature. The 31Mg nuclide is a prime candidate for the study of ‘island-of-inversion’ as its ground state and first excited state can only be explained by intruder orbitals in a deformed shell-model approach. {sup 31}S is of importance in astrophysics rp-process as a possible ‘bottleneck’ nuclide. There are no data available for excited states in {sup 31}F, {sup 31}Ne and {sup 31}Ar. No gamma transitions are known in {sup 31}Cl. For {sup 31}Na, only one excited state is known. The radioactive decay characteristics of {sup 31}F and {sup 31}Ne isotopes have not yet been investigated. The {sup 31}S and {sup 31}Mg nuclei are currently being pursued intensively by various experimental groups, including recent work by Nuclear Astrophysics group at McMaster, the results of which will soon become available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Highly Perfluorinated Covalent Triazine Frameworks Derived from a Low-Temperature Ionothermal Approach Towards Enhanced CO 2 Electroreduction

Perfluorinated covalent triazine frameworks (F-CTFs) have shown unique features and attractive performance in separation and catalysis. However, state-of-art F-CTFs synthesized via the ZnCl 2 -promoted procedure have quite low fluorine contents due to C-F bond cleavage induced by chloride (a Lewis base) and the harsh conditions deployed (400-700 °C). Fabricating F-CTFs with high fluorine contents (> 30 wt%) remains challenging. Herein, we present a low-temperature ionothermal approach (275 °C) to prepare F-CTFs, which is achieved via polymerization of tetrafluoroterephthalonitrile (TFPN) over the Lewis superacids, e.g., zinc triflimide [Zn(NTf 2 ) 2 ] without side reactions. With low catalyst loading (equimolar), F-CTFs are afforded with high fluorine content (31 wt%), surface area up to 367 m 2 g -1 , and micropores around 1.1 nm. The highly hydrophobic F-CTF-1 exhibits good capability to boost electroreduction of CO 2 to CO, with faradaic efficiency of 95.7% at –0.8 V and high current density (–141 mA cm -2 ) surpassing most of the metal-free electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Calculations of energies, transition rates, and lifetimes for the fluorine-like isoelectronic sequence with Z=31−35

Employing two state-of-the-art methods, multiconfiguration Dirac–Hartree–Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 200 fine-structure levels arising from the 2l{sup 7},2l{sup 6}3l{sup ′} and 2l{sup 6}4l{sup ′} configurations of the fluorine-like isoelectronic sequence with Z=31−35. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 200 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. The present data are accurate enough for identification and deblending of emission lines involving the n=3,4 levels, and are also useful for modeling and diagnosing fusion plasmas.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Two-neutron halo structure of 31 F

Here, we apply the Gamow shell model to study 25–31 F isotopes. As both internucleon correlations and continuum coupling are properly treated therein, the structure shape of 31 F at large distance can be analyzed precisely. For this, one-nucleon densities, root-mean-square radii, and correlation densities are calculated in neutron-rich fluorine isotopes. It is then suggested that 31 F exhibits a two-neutron halo structure, built from both continuum coupling and nucleon-nucleon correlations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Density matrix renormalization group description of the island of inversion isotopes F 28 – 33

Recent experiments have confirmed that the neutron-rich isotopes 28,29 F belong to the so-called island of inversion (IOI), a region of the nuclear chart around Z = 10 and N = 20 where nuclear structure deviates from the standard shell model predictions due to deformation and continuum effects. However, while the general principles leading to the IOI are relatively well understood, the details of the low-lying structure of the exotic fluorine isotopes 28–33 F are basically unknown. In this study, we perform large-scale shell model calculations including continuum states to investigate the properties of the neutron-rich isotopes 25–33 F, from a core of 24 O and using an effective two-body interaction with a small number of adjustable parameters in the central and tensor channels. We develop two models adjusted on experimentally confirmed states in 25,26 O and 25–27 F based on different assumptions concerning the positions of the neutron 0d 3/2 and 1p 3/2 shells, and solve the many-body problem using the density matrix renormalization group (DMRG) method for open quantum systems in an sd–fp model space. We obtain the first detailed spectroscopy of 25–33F in the continuum and show how the interplay between continuum effects and deformation explains the recent data on 28,29 F. Several deformed one- and two-neutron halo states are predicted in 29,31 F, and we provide some information about the possible structure of the heaviest fluorine isotopes. We also suggest several experimental studies of interest to constraint models and test the present predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Synthesis and structure of ruthenium complexes [Ph{sub 3}PCH{sub 2}C{sub 6}H{sub 4}F-4]{sub 2}[RuCl{sub 6}] and [Ph{sub 3}PCH{sub 2}C{sub 6}H{sub 4}F-4][trans-RuCl{sub 4}(dmso-S){sub 2}]

The reaction of (4-fluorobenzyl)triphenylphosphonium chloride with ruthenium(III) chloride hydrate in the presence of hydrochloric acid in dimethyl sulfoxide affords the complex [Ph{sub 3}PCH{sub 2}C{sub 6}H{sub 4}F-4]{sub 2}[RuCl{sub 6}]. In the absence of hydrochloric acid, the reaction gives the complex [Ph{sub 3}PCH{sub 2}C{sub 6}H{sub 4}F-4][trans-RuCl{sub 4}(dmso-S){sub 2}]. The structures of the complexes were studied by {sup 1}H, {sup 19}F, and {sup 31}P NMR spectroscopy and X-ray diffraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

New ruthenocene-based ruthenium pincer complex bearing the C{sub 5}Me{sub 4}CF{sub 3} ligand

The first (trifluoromethyl)tetramethylruthenocene-based ruthenium pincer complex RuCl(CO)[{2,5-(Bu_2"tPCH_2)_2C_5H_2}Ru(C{sub 5}Me{sub 4}CF{sub 3})] was synthesized by cyclometallation of the bisphosphine ligand {1,3-(Bu_2"tPCH_2)_2C_5H_2}Ru(C{sub 5}Me{sub 4}CF{sub 3}) with RuCl{sub 2}(DMSO){sub 4} in 2-methoxyethanol in the presence of NEt{sub 3}. The new complex was fully characterized by {sup 1}H, {sup 19}F, {sup 31}P{"1H}, {sup 13}C{"1H} NMR and IR spectroscopy.

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

Ultrasonic degradation of GenX (HFPO-DA) – Performance comparison to PFOA and PFOS at high frequencies

Sonolytic degradation kinetics of hexafluoropropylene oxide-dimer acid (HFPO-DA or GenX) were studied for the first time at four high ultrasonic frequencies (375, 580, 860 and 1,140kHz) and three power densities (200, 300 and 400W/L), and compared to the degradation of previously studied perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS). The frequency of 580kHz displayed the highest degradation of all three PFAS tested. Within each frequency, the degradation performance increased consistently with increasing power density. Degradation rates were highest for GenX over PFOA to PFOS (k GenX = 0.0501 min -1 , k PFOA = 0.0444 min -1 , k PFOS 0.0153 min -1 ), which is in direct agreement with their reported thermal stability (PFOS > PFOA > GenX). No known by-product formation as expected from the literature on truncation mechanism was detected in the samples (i.e. shorter chain carboxylic acid PFAS). Further, fluorine mass balance experiments at 580kHz and 400W/ L confirmed that GenX defluorinated fastest among the three tested PFAS and had lowest loss of fluorine in the mass balance. Degradation experiments with a mixture of all three PFAS displayed lower degradation rates than the individual experiments, where PFOA exhibited the largest reduction in degradation rate (by 31%), followed by GenX (by 19%), and finally by PFOS (by 17%). Overall, our study demonstrates that ultrasound can provide effective destruction of different PFAS (70-90% fluorine from mitigated PFAS was detected as inorganic fluoride) with a similar energy demand to alternative PFAS treatment methods reported in literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Phase equilibria in the NaF-CdO-NaPO{sub 3} system at 873 K and crystal structure and physico-chemical characterizations of the new Na{sub 2}CdPO{sub 4}F fluorophosphate

Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO{sub 3} system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO{sub 4} side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na{sub 2}CdPO{sub 4}F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1), c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na{sub 2}CaPO{sub 4}F and the fluorosilicate Ca{sub 2}NaSiO{sub 4}F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na{sub 2}M{sup II}PO{sub 4}F (M{sup II}=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and {sup 19}F, {sup 23}Na, {sup 31}P MAS NMR characterizations of Na{sub 2}CdPO{sub 4}F have been investigated. - Graphical abstract: The structure of the compound Na{sub 2}CdPO{sub 4}F, discovered during the study of the phase relationships in the NaF-CdO-NaPO{sub 3} system, has been determined and compared with other Na{sub 2}M{sup II}PO{sub 4}F fluorophosphates. - Highlights: • XRD analysis of the isothermal section of the NaF-CdO-NaPO{sub 3} system at 923 K. • Rietveld refinement of the high temperature polymorph β-NaCdPO{sub 4}. • Crystal structure of the new Na{sub 2}CdPO{sub 4}F fluorophosphate determined from powder XRD. • Crystal structure - composition relationships of Na{sub 2}M{sup II}PO{sub 4}F compounds are reviewed. • IR, Raman, optical and {sup 19}F, {sup 23}Na, {sup 31}P MAS NMR characterizations of Na{sub 2}CdPO{sub 4}F.

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

Role of quadrupole deformation and continuum effects in the “island of inversion” nuclei 28,29,31 F

The peculiar properties of nuclei in the so-called “island of inversion” around Z = 10 and N = 20 are the focus of current nuclear physics research. Recent studies showed that 28 F has a negative-parity ground state and thus lies within the southern shore of the island of inversion, and 29 F presents a halo structure in its ground state, but it is unclear which effects, such as deformation, shell evolution due to tensor forces, or couplings to the continuum, lead to this situation. Here, we investigate the role of quadrupole deformation and continuum effects on the single-particle structure of 28,29,31 F from a relativistic mean-field approach and show how both phenomena can lead to a negative-parity ground state in 28 F and halo structures in 29,31 F. We solve the Dirac equation in the complex-momentum (Berggren) representation for a potential with quadrupole deformation at the first order obtained from relativistic mean-field calculations using the NL3 interaction and calculate the continuum level densities using the Green’s function method. We extract single-particle energies and widths from the continuum level densities to construct the Nilsson diagrams of 28,29,31 F in the continuum and analyze the evolution of both the widths and occupation probabilities of relevant Nilsson orbitals in 28 F and find that some amount of prolate deformation must be present. In addition, we calculate the density distributions for bound Nilsson orbitals near the Fermi surface in 29,31 F and reveal that, for a quadrupole deformation 0.3 ≤ β 2 ≤ 0.45 (prolate), characteristic halo tails appear at large distances. Using the relativistic mean-field approach in the complex-momentum representation with the Green’s function method, we demonstrate that in neutron-rich fluorine isotopes, while in the spherical case the pf shells are already inverted and close to the neutron emission threshold, a small amount of quadrupole deformation can dramatically reduce the gap between positive- and negative-parity states and increase the role of continuum states, ultimately leading to the negative parity in the ground state of 28 F and the halo structures in 29,31 F.

20 ≤ A ≤ 38↗
DOE OSTI2013

Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

Coupled cluster (CC) methods provide highly accurate predictions of molecular properties, but their high computational cost has precluded their routine application to large systems. Fortunately, recent computational developments in the ACES III program by the Bartlett group [the OED/ERD atomic integral package, the super instruction processor, and the super instruction architecture language] permit overcoming that limitation by providing a framework for massively parallel CC implementations. In that scheme, we are further extending those parallel CC efforts to systematically predict the three main electron spin resonance (ESR) tensors (A-, g-, and D-tensors) to be reported in a series of papers. In this paper inaugurating that series, we report our new ACES III parallel capabilities that calculate isotropic hyperfine coupling constants in 38 neutral, cationic, and anionic radicals that include the {sup 11}B, {sup 17}O, {sup 9}Be, {sup 19}F, {sup 1}H, {sup 13}C, {sup 35}Cl, {sup 33}S,{sup 14}N, {sup 31}P, and {sup 67}Zn nuclei. Present parallel calculations are conducted at the Hartree-Fock (HF), second-order many-body perturbation theory [MBPT(2)], CC singles and doubles (CCSD), and CCSD with perturbative triples [CCSD(T)] levels using Roos augmented double- and triple-zeta atomic natural orbitals basis sets. HF results consistently overestimate isotropic hyperfine coupling constants. However, inclusion of electron correlation effects in the simplest way via MBPT(2) provides significant improvements in the predictions, but not without occasional failures. In contrast, CCSD results are consistently in very good agreement with experimental results. Inclusion of perturbative triples to CCSD via CCSD(T) leads to small improvements in the predictions, which might not compensate for the extra computational effort at a non-iterative N{sup 7}-scaling in CCSD(T). The importance of these accurate computations of isotropic hyperfine coupling constants to elucidate experimental ESR spectra, to interpret spin-density distributions, and to characterize and identify radical species is illustrated with our results from large organic radicals. Those include species relevant for organic chemistry, petroleum industry, and biochemistry, such as the cyclo-hexyl, 1-adamatyl, and Zn-porphycene anion radicals, inter alia.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

SIMS microanalysis of the Strelley Pool Formation cherts and the implications for the secular-temporal oxygen-isotope trend of cherts

The significance of oxygen isotope ratios in Archean chert has long been debated. Cherts from the c. 3.4 Ga Strelley Pool Formation (SPF) (Pilbara Craton, Western Australia) host some of the oldest stromatolite and microfossil evidence for life, but the genesis and timing of silica cements has been unclear. Field relations, petrography and a combination of laser fluorination and in-situ SIMS measurements of δ 18 O in quartz show that bedded cherts of the SPF were originally precipitated as carbonates and were later widely replaced by quartz. Three localities were studied and analyzed for δ 18 O(Qz) in chert: 1) Camel Creek: foliated, metamorphosed, bedded cherts and meter-scale black chert veins; 2) Unconformity Ridge and ABDP8 drill core: stromatolitic and bedded chert overlying basal detrital quartz sandstone; and 3) the Trendall locality: “bedded” stromatolitic chert replacing original dolomite, low temperature hydrothermal quartz, and mm- to decimeter-scale chert-quartz veins. Laser fluorination (mm-scale) values of δ18O(Qz) range from: 14.2 to 18.2‰ VSMOW at Camel Creek; 9.3 to 18.9‰ at Unconformity Ridge; and 13.7 to 25.7‰ at Trendall. Values of δ 18 O(Qz) in cm to decimeter-scale hydrothermal chert veins cutting bedded carbonates at Trendall range from ca. 15 to 16‰, whereas “bedded cherts” are 17 to 26‰. These laser data include the highest δ 18 O values reported for cherts in Paleoarchean sediments and are up to 4‰ higher than the upper limit of ~22‰ reported in other studies, in apparent contrast to the long-standing secular-temporal trend which shows such high δ 18 O only in younger chert. However, analysis by laser fluorination at the 1-mm scale cannot resolve microtextures seen petrographically. In contrast, in-situ SIMS analyses can resolve petrographic microtextures and show δ 18 O(Qz) at 10-μm scale have an even greater range of 7–31‰ in “bedded” cherts at the Trendall locality, up to 9‰ above the secular-temporal trend. Textures observed optically at the Trendall locality were classified as: microquartz, mesoquartz, chalcedony, megaquartz veins, and cavity megaquartz. SEM-CL imaging shows two generations of meso- and megaquartz; bright CL with well-developed growth zoning, and dark CL with massive or mottled texture. Microquartz is the earliest textural generation of quartz and has a maximum δ 18 O(Qz) of ~22‰ by SIMS. Dark-CL mesoquartz has similar δ 18 O to microquartz and is interpreted to also be early. Bright-zoned-CL mesoquartz, which formed post-Archean, has even higher δ 18 O, up to 29‰. Vein megaquartz crosscuts most quartz generations and has a restricted range of δ 18 O, mostly from 16 to 19‰. Chalcedony pseudomorphs rhombic cavities and fractures, lines the edges of veins, and has similar δ 18 O to veins (16–19‰). Late cavity megaquartz is bright and zoned by CL, grows into late open cavities, and has the highest δ 18 O(Qz) values reported from the Pilbara, up to 31.3‰. Thus, the highest-δ 18 O quartz cements at the Trendall locality are the youngest and may be related to weathering. Early silicification and the formation of microquartz, chalcedony and low δ 18 O mesoquartz occurred during low temperature hydrothermal activity in the Archean. None of the SPF quartz examined is interpreted to have formed as a direct precipitate from Paleoarchean seawater. Thus, values of δ 18 O(Qz) do not record either water chemistry or temperature of Archean oceans. In-situ SIMS analysis shows that high-δ 18 O(Qz) values above 22‰ are only found in late-forming cavity megaquartz and bright-zoned-CL mesoquartz at the Trendall locality. The SPF results from our sample suite demonstrate the ability to resolve complex history using detailed petrography and SIMS analysis. Similar studies may show equal complexity of δ 18 O(Qz) data for other localities that are interpreted to show secular-temporal trends for chert. The apparent increase of δ 18 O(Qz) through time may reflect differences in diagenesis, and/or an inherent and previously unrecognized sampling bias that compares fundamentally different populations of quartz, such as Archean hydrothermal chert from volcanic greenstone belts, with unrelated Phanerozoic biogenic quartz.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Final Report for Project DE-FG02-05ER15718 Fluoropolymers, Electrolytes, Composites and Electrodes

This report is for a project that was initiated under the title “New Proton-Conducting Fluoropolymer Electrolytes for PEM Fuel Cells”, as part of the DOE program titled “Basic Research for the Hydrogen Fuel Cell Initiative”, Program Notice DE-FG01-04ER04-20. The project received 750,000 dollars in initial funding for a three-year term with a start date of August 15, 2005. Creager was PI and co-PIs were DesMarteau and Smith, all from Clemson. The project was renewed for a second three-year term with a start date of June 15 2008, again for 750,000 dollars, with the new title, “Fluoropolymers, Electrolytes, Composites and Electrodes”. Shortly after the renewal was put in place, co-PI Smith left Clemson to accept a position at the University of Texas at Dallas. After a period of no-cost extension the project was renewed on January 1 2013 for another three-year term, this time for a smaller amount ($525,000) and with Thrasher, a new senior hire at Clemson, as co-PI in place of Smith. DesMarteau had retired from Clemson by this time but was retained as a project advisor. After a final one-year no-cost extension for calendar year 2016, the project ended on December 31, 2016, giving it an active period of eleven and one-half years, from August 15 2005 to December 31 2016. The overall objective of this research project has been to create and understand the behavior of new fluoropolymer-based electrolytes and electrodes suitable for use in electrochemical energy storage and conversion devices. The objective was pursued via research on new fluorinated monomers, new polymers and polyelectrolytes (also known as ionomers), and new electrocatalyst supports that in some cases include chemically grafted electrolytes to promote rapid ion transport to electrocatalytically active sites (usually platinum nanoparticles) on the support. The research involved synthesis and characterization of new materials, and creation and use of new measurement techniques that address key properties of the materials, e.g. mixed electronic / ionic conduction in the absence of liquid electrolyte, that are relevant to their use in energy conversion and storage.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Cyclic carbonate for highly stable cycling of high voltage lithium metal batteries

The lithium metal battery (LMB) is one of the most promising next-generation battery systems due to its ultrahigh energy density. However, problematic dendrite formation and low Coulombic efficiency (CE) greatly limit its practical application. Carbonate electrolyte solvents are still indispensable for the operation of LMBs using a transition metal oxide cathode. We determined the impact of different cyclic carbonates, which actively participate in the formation of the solid-electrolyte interface (SEI), on the stable cycling of LMBs using a nickel-rich layered cathode LiN i0.6 Mn 0.2 Co 0.2 O 2 (NMC622). The substitution of fluorine atoms in the cyclic carbonate profoundly enhances the stability of the lithium metal anode while fluoroalkyl and alkoxy substituents are detrimental. Cyclic carbonate trans-difluoroethylene carbonate (DFEC) was identified as a novel SEI enabler on the lithium metal anode, facilitating the formation of a protective SEI with relatively high lithium fluoride content. A Li/NMC622 cell utilizing DFEC electrolyte solvent as SEI enabler displayed a capacity retention larger than 82% after 400 cycles and an average CE of 99.95%. In contrast, the cycling retention after 400 cycles for a Li/NMC622 cell using monofluoroethylene carbonate was only 31% with an average CE of 99.73 %. Other fluoroalkyl or alkoxy cyclic carbonates do not provide improved stabilization of the lithium metal anode over ethylene carbonate. The fundamental studies in this work provide critical insight for the further development of advanced electrolytes in LMBs

25 ENERGY STORAGE↗
DOE OSTI2015

Fluorinated graphene oxide for enhanced S and X-band microwave absorption

Here we report the microwave absorbing properties of three graphene derivatives, namely, graphene oxide (GO), fluorinated GO (FGO, containing 5.6 at. % Fluorine (F)), and highly FGO (HFGO, containing 23 at. % F). FGO is known to be exhibiting improved electrochemical and electronic properties when compared to GO. Fluorination modifies the dielectric properties of GO and hence thought of as a good microwave absorber. The dielectric permittivities of GO, FGO, and HFGO were estimated in the S (2 GHz to 4 GHz) and X (8 GHz to 12 GHz) bands by employing cavity perturbation technique. For this, suspensions containing GO/FGO/HFGO were made in N-Methyl Pyrrolidone (NMP) and were subjected to cavity perturbation. The reflection loss was then estimated and it was found that −37 dB (at 3.2 GHz with 6.5 mm thickness) and −31 dB (at 2.8 GHz with 6 mm thickness) in the S band and a reflection loss of −18 dB (at 8.4 GHz with 2.5 mm thickness) and −10 dB (at 11 GHz with 2 mm thickness) in the X band were achieved for 0.01 wt. % of FGO and HFGO in NMP, respectively, suggesting that these materials can serve as efficient microwave absorbers even at low concentrations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Complex F,Cl Apatite Solid Solution Investigated Using Multinuclear Solid-State NMR Methods

In this paper, a series of synthetic F,Cl apatites with low hydroxyl content was investigated using 31 P, 19 F, and 35 Cl solid-state magic angle spinning (MAS) NMR spectroscopic methods. 31 P single-pulse (SP) NMR spectra show that for each composition the phosphate 31 P chemical shift depends on occupancy of the nearest anion site for each composition. Overall the average chemical shift deviates from linear across the F/Cl series. For intermediate compositions 19 F SP NMR spectra reveal complex, broadened spectral profiles that are not correlated to composition. 19 F{ 35 Cl} TRAPDOR results indicate that the spectral profiles do not reflect occupancy of F and Cl in adjacent column anion sites. We propose that the complex 19 F lineshapes are principally due to broad distributions of 19 F–Ca distances arising from displacement of F along the anion channel. Finally, approximate fluorine atomic positions are estimated based on 19 F chemical shifts of alkaline earth fluoride salts, and the results are in good accord with those proposed for intermediate composition F,Cl apatites from XRD data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Vibration-based energy harvesting with piezoelectrets having high d{sub 31} activity

Sandwiched fluoroethylene propylene films with charged, parallel-tunnel voids between the layers, which exhibit high d{sub 31} piezoelectric activity, were designed. Stripes of such piezoelectrets were exposed to mechanical stress in length direction by a seismic mass excited to vibrations. Due to the piezoelectricity of the films, a current in a terminating resistor is generated. The harvested power across the resistor amounts to about 0.2 mW for a seismic mass of 2 g and an acceleration of 1 g. In comparison with other piezoelectret or with poly(vinylidene fluoride) harvesters, the generated power referred to equal acceleration and force, is significantly larger.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Current and future federal and state sampling guidance for per- and polyfluoroalkyl substances in environmental matrices

Per- and polyfluoroalkyl substances (PFAS) are a class of emerging contaminants composed of an estimated 5000 to 10,000 human-made, fluorinated, organic chemicals. Due to the complexity of PFAS, the need for multiple environmental matrix considerations and the absence of a promulgated federal standard for environmental sampling and analysis, U.S. states have begun developing health-based regulatory and/or guidance values for a limited number of PFAS in environmental matrices. As there is a growing body of science to inform PFAS sampling guidance standard development, it is important to understand which U.S. states are implementing sampling guidelines and how they plan to handle emerging PFAS. This critical review discusses the current and impending federal and state sampling guidelines for PFAS in environmental matrices, the data gaps surrounding PFAS sampling guidance in U.S. states, and the future impacts of impending guidance documents and regulations. Ten federal guidance documents are available for PFAS sampling guidance and analysis. The maximum number of PFAS covered in these guidance documents is 25 analytes spanning across 8 unique media. While the EPA has developed several different sampling and analytical guidelines for PFAS, there is no formal regulation of PFAS or requirements of states to enforce these guidelines. Consequently, only 31 states have informally adopted sampling guidelines, while the other 19 states have no guidance documentation in place for PFAS. The introduction of new PFAS sampling guidelines by the EPA, as well as updated analytical guidelines that target more PFAS or total organofluoride, is expected to continuously shift the landscape of federal and state guidance for PFAS sampling moving forward.

54 ENVIRONMENTAL SCIENCES↗