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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ubiquitous enhancement of nematic fluctuations across the phase diagram of iron based superconductors probed by the Nernst effect

The role of nematic fluctuations for unconventional superconductivity has been the subject of intense discussions for many years. In iron-based superconductors, the most established probe for electronic-nematic fluctuations, i.e. the elastoresistivity seems to imply that superconductivity is reinforced by electronic-nematic fluctuations, since the elastoresistivity amplitude peaks at or close to optimal T c . However, on the over-doped side of the superconducting dome, the diminishing elastoresistivity suggests a negligible importance in the mechanism of superconductivity. Here we introduce the Nernst coefficient as a genuine probe for electronic nematic fluctuations, and we show that the amplitude of the Nernst coefficient tracks the superconducting dome of two prototype families of iron-based superconductors, namely Rh-doped BaFe 2 As 2 and Co-doped LaFeAsO. Our data thus provide fresh evidence that in these systems, nematic fluctuations foster the superconductivity throughout the phase diagram.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Support on Iron-Based Catalyst Toward CO2-Free H2 Production From Methane Pyrolysis

The global demand for low-emission hydrogen production is increasing rapidly due to the potential for hydrogen to substitute conventional fossil fuels in energy related applications. Among all the current practical technologies – Steam Reforming of Methane (SMR), Water Electrolysis, and Methane Pyrolysis – methane pyrolysis has the potential to produce economical- and near-zero-emission hydrogen because the reaction produces a solid carbon by-product that can be monetized to offset production costs. However, this route is not without research challenges, and the selective formation of high-value carbon remains a critical issue. Supported nickel, iron, and cobalt, have been widely investigated for methane pyrolysis. Although iron-based catalysts are less active than Ni, iron catalysts offer less resistance to coke formation, are inexpensive, and have a longer lifetime. One area not sufficiently explored is the effect of support materials other than Al2O3 for the iron-based catalysts. Therefore, in this study we investigated a detailed variation of support material to study their influence on the catalytic performance. Moreover, this study offers a fair comparison because all catalytic materials were synthesized and studied under identical conditions, allowing a direct comparison of the obtained results; this is important because results reported in different publications in literature are often not comparable, due to very different reaction conditions.

Aireddy, Divakar Reddy↗
DOE OSTI2024

Effect of Support on Iron-Based Catalyst Toward CO2-Free H2 Production From Methane Pyrolysis

The global demand for low-emission hydrogen production is increasing rapidly due to the potential for hydrogen to substitute conventional fossil fuels in energy-related applications. Among practical technologies such as steam reforming of methane (SMR), water electrolysis, and methane pyrolysis, methane pyrolysis has the most potential to produce economical- and near-zero-emission hydrogen. The reaction during methane pyrolysis produces a solid carbon by-product that can be monetized to offset production costs. However, this route is not without research challenges, and the selective formation of high-value carbon remains a critical issue. Supported nickel, iron, and cobalt, have been widely investigated for methane pyrolysis. Although iron-based catalysts are less active than Ni, iron catalysts offer less resistance to coke formation, are inexpensive, and have a longer lifetime. One area not sufficiently explored is the effect of support materials other than Al2O3 for the iron-based catalysts. Therefore, we investigated a detailed variation of support materials to study their influence on the catalytic performance. Moreover, this study offers a fair and direct comparison among all catalytic materials which were synthesized and studied under identical conditions. This direct comparison of the obtained results is important because results reported in different publications are often not comparable due to very different reaction conditions.

Gull, Nathan↗
DOE OSTI2020

Low work function in the 122-family of iron-based superconductors

Herein we determine the work functions of the iron arsenic compounds A Fe 2 As 2 ( A = Ca , Ba , Cs ) using photoemission spectroscopy to be 2.7 eV for CaFe 2 As 2 , 1.8 eV for BaFe 2 As 2 , and 1.3 eV for CsFe 2 As 2 . The work functions of these 122 iron-based superconductors track those of the elementary metal A but are substantially smaller. The most likely explanation of this observation is that the cleaving surface exposes only half an A -layer. The low work function and good photoemission cross section of BaFe 2 As 2 and CsFe 2 As 2 enable photoemission even from a common white LED light.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Anomalous Shiba states in topological iron-based superconductors

We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe 1–x Te x . We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direction of the spin polarization or to the separation between impurities. Here, we argue that our theoretical results are consistent with recent experimental measurements on FeSe 1–x Te x .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dispersion kinks from electronic correlations in an unconventional iron-based superconductor

The attractive interaction in conventional BCS superconductors is provided by a bosonic mode. However, the pairing glue of most unconventional superconductors is unknown. The effect of electron-boson coupling is therefore extensively studied in these materials. A key signature are dispersion kinks that can be observed in the spectral function as abrupt changes in velocity and lifetime of quasiparticles. Here, we show the existence of two kinks in the unconventional iron-based superconductor RbFe 2 As 2 using angle-resolved photoemission spectroscopy (ARPES) and dynami- cal mean field theory (DMFT). In addition, we observe the formation of a Hubbard band multiplet due to the combination of Coulomb interaction and Hund’s rule coupling in this multiorbital systems. We demonstrate that the two dispersion kinks are a consequence of these strong many-body interactions. This interpretation is in line with a growing number of theoretical predictions for kinks in various general models of correlated materials. Our results provide a unifying link between iron-based superconductors and different classes of correlated, unconventional superconductors such as cuprates and heavy-fermion materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Cooper-pair density modulation state in an iron-based superconductor

Superconducting (SC) states that break space-group symmetries of the underlying crystal can exhibit nontrivial spatial modulation of the order parameter. Previously, such states were intimately associated with the breaking of translational symmetry, resulting in the density-wave orders, with wavelengths spanning several unit cells. However, a related basic concept has long been overlooked: when only intra-unit-cell symmetries of the space group are broken, the SC states can show a distinct type of nontrivial modulation preserving long-range lattice translation. Here, in this study, we refer to this new concept as the pair density modulation (PDM) and report the first observation of a PDM state in exfoliated thin flakes of the iron-based superconductor FeTe 0.55 Se 0.45 . Using scanning tunnelling microscopy (STM), we discover robust SC gap modulation with the wavelength corresponding to the lattice periodicity and the amplitude exceeding 30% of the gap average. Notably, we find that the observed modulation originates from the large difference in SC gaps on the two nominally equivalent iron sublattices. The experimental findings, backed up by model calculations, suggest that, in contrast to the density-wave orders, the PDM state is driven by the interplay of sublattice symmetry breaking and a peculiar nematic distortion specific to the thin flakes. Our results establish new frontiers for exploring the intertwined orders in strong-correlated electronic systems and open a new chapter for iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Spontaneous Nernst effect in the iron-based superconductor Fe 1+y Te 1–x Se x

We present a study of the Nernst effect in an iron-based superconductor with a nontrivial band topology Fe 1+y Te 1–x Se x . A nonzero Nernst signal is observed in a narrow temperature region around the superconducting transition temperature Tc at a zero field. This anomalous Nernst signal shows symmetric dependence on the external magnetic field and indicates an unconventional vortex contribution in an s-wave superconductor with a strong spin-orbit coupling, which is originated from the local magnetic moments of the interstitial Fe atoms. Furthermore, our experiments also provide the first evidence of a locally broken time-reversal symmetry in bulk Fe 1+y Te 1–x Se x single crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Highly Soluble Iron–Based Posolyte Species with High Redox Potential for Aqueous Redox Flow Batteries

A novel iron-based posolyte redox species are presented for an aqueous redox flow battery, (Tetrakis(2-pyridylmethyl)ethylenediamine)iron(II) dichloride, which is obtained by a simple synthetic route, shows a high redox potential of 0.788 V versus SHE, and exhibits exceptional aqueous solubility of 1.46 M. Paired with bis(3-trimethylammonio)propyl viologen tetrachloride at neutral pH, the battery demonstrates an open-circuit voltage of 1.19 V and delivers good cycling performance, with a capacity fade rate of 0.28% per day and coulombic efficiency of 99.3%. Postmortem chemical and electrochemical analyses of the posolyte species suggest future routes for stabilization of the complex. Among all the iron complexes with a redox potential above 0.4 V versus SHE, this compound exhibits the highest solubility. Furthermore, these results offer valuable insights that can be applied to the development of future posolyte species for sustainable energy storage solutions.

25 ENERGY STORAGE↗
DOE OSTI2022

Preferred Spin Excitations in the Bilayer Iron-Based Superconductor $CaK(Fe_{0.96}Ni_{0.04})_4As_4$ with Spin-Vortex Crystal Order

Spin-orbit coupling (SOC) is a key to understand the magnetically driven superconductivity in iron-based superconductors, where both local and itinerant electrons are present and the orbital angular momentum is not completely quenched. Here, we report a neutron scattering study on the bilayer compound CaK(Fe 0.96 Ni 0.04 ) 4 As 4 with superconductivity coexisting with a noncollinear spin-vortex crystal magnetic order that preserves the tetragonal symmetry of the Fe-Fe plane. In the superconducting state, two spin resonance modes with odd and even L symmetries due to the bilayer coupling are found similar to the undoped compound CaKFe 4 As 4 but at lower energies. Polarization analysis reveals that the odd mode is c-axis polarized, and the low-energy spin anisotropy can persist to the paramagnetic phase at high temperature, which closely resembles other systems with in-plane collinear and c-axis biaxial magnetic orders. Overall, these results provide the missing piece of the puzzle on the SOC effect in iron-pnictide superconductors, and also establish a common picture of c-axis preferred magnetic excitations below T c regardless of the details of magnetic pattern or lattice symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin fluctuations in the 112-type iron-based superconductor Ca 0.82 La 0.18 Fe 0.96 Ni 0.04 As 2

Abstract We report time-of-flight inelastic neutron scattering (INS) investigations on the spin fluctuation spectrum in the 112-type iron-based superconductor (FeSC) Ca 0.82 La 0.18 Fe 0.96 Ni 0.04 As 2 (CaLa-112). In comparison to the 122-type FeSCs with a centrosymmetric tetragonal lattice structure (space group I 4 / m m m ) at room temperature and an in-plane stripe-type antiferromagnetic (AF) order at low temperature, the 112 system has a noncentrosymmetric structure (space group P 2 1 ) with additional zigzag arsenic chains between Ca/La layers and a magnetic ground state with similar wavevector Q A F but different orientations of ordered moments in the parent compounds. Our INS study clearly reveals that the in-plane dispersions and the bandwidth of spin excitations in the superconducting CaLa-112 closely resemble to those in 122 systems. While the total fluctuating moments ⟨ m 2 ⟩ ≈ 4.6 ± 0.2 μ B 2 /Fe are larger than 122 system, the dynamic correlation lengths are similar ( ξ ≈ 10 Å). These results suggest that superconductivity in iron arsenides may have a common magnetic origin under similar magnetic exchange couplings with a dual nature from local moments and itinerant electrons, despite their different magnetic patterns and lattice symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Biomimetic catalysts of iron-based metal–organic frameworks with high peroxidase-mimicking activity for colorimetric biosensing

The field of metal–organic framework (MOF)-based biomimetic catalysts has achieved great progress but is still in its infancy. The systematic investigation of the tailored construction of MOF-based biomimetic catalysts is required for further development. Herein, two iron-based MOFs, namely, [(Fe 3 O) 2 (H 2 O) 4 (HCOO)(L) 2 ] n (HUST-5: H 6 L = hexakis(4-formylphenoxy) cyclotriphosphazene; HUST = Huazhong University of Science and Technology) and [(Fe 3 O)(H 2 O) 3 (L)] n (HUST-7) have been fabricated through the assembly of different iron clusters and hexa-carboxylate ligand under the control of the added acid species. The two MOFs exhibit distinct secondary building units (SBUs) and topological structures, which could be used as biomimetic catalysts for the systematic comparisons of structural characteristics and the catalytic activity. Both MOFs possess catalytic activity similar to that of natural peroxidases towards the catalysis of the oxidation of a variety of substrates. Significantly, HUST-5 and HUST-7 can effectively catalyze the oxidation of 3,3',5,5'-tetramethylbenzidine (TMB) by H 2 O 2 accompanied by significant colorimetric biosensing. With same compositions, different catalytic performances were obtained due to differences in the porous structures and characteristics of SBUs in two Fe-MOFs, which was also validated by theoretical calculation results. Furthermore, the phenomenon of colorimetric biosensing could be significantly suppressed by the addition of ascorbic acid (AA) during the oxidation process of TMB. It was observed from these findings that a facile colorimetric biosensing platform for detecting H 2 O 2 and ascorbic acid has been successfully explored. Therefore, this work provides another unique perspective for the tailor-made preparation of stable MOF-based peroxidase mimics with excellent catalytic performance and colorimetric biosensing.

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

Universal Superconductivity in FeTe and All‐Iron‐Based Ferromagnetic Superconductor Heterostructures

Abstract Ferromagnetism (FM) and superconductivity (SC) are two of the most famous macroscopic quantum phenomena. However, nature normally does not allow SC and FM to coexist without significant degradation. Here, the first fully iron‐based SC/FM heterostructures, composed of Fe(Te,Se) and Fe 3 GeTe 2 , are introduced, and it is shown that this system exhibits both strong FM and high‐temperature SC with an atomically sharp interface. From this study, it is also discovered that minute level of various cationic dopants can drive otherwise non‐superconducting FeTe films into a SC state. This suggests that the ground state of FeTe is so close to the SC state that it can be driven in and out of the SC state with various other perturbations. Altogether, this shows that Fe‐Te‐based heterostructures provide a unique opportunity to manipulate magnetism, superconductivity, and topological physics, paving the way toward new superconducting technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Iron-based superconductors: Teenage, complex, challenging

Here, fifteen years after the surprising discovery of superconductivity in iron-based materials, researchers are beginning to impart some of their newfound wisdom on a slew of emerging superconductors that display similar traits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Iron-based sulfur and nitrogen dual doped porous carbon as durable electrocatalysts for oxygen reduction reaction

The widespread use of fuel cell technology is hampered by the use of expensive and scarce platinum metal in electrodes which is required to facilitate the sluggish oxygen reduction reaction (ORR). In this work, a viable synthetic approach was developed to prepare iron-based sulfur and nitrogen dual doped porous carbon (Fe@SNDC) for use in ORR. Benzimidazole, a commercially available monomer, was used as a precursor for N doped carbon and calcined with potassium thiocyanate at different temperatures to tune the pore size, nitrogen content and different types of nitrogen functionality such as pyridinic, pyrrolic and graphitic. The Fe@SNDC–950 with high surface area, optimum N content of about 5 at% and high amount of pyridinic and graphitic N displayed an onset potential and half-wave potential of 0.98 and 0.83 V vs RHE, respectively, in 0.1 M KOH solution. The catalyst also exhibits similar oxygen reduction reaction performance compared to Pt/C (20 wt%) in acidic media. Furthermore, when compared to commercially available Pt/C (20 wt%), Fe@SNDC–950 showed enhanced durability over 6 h and poison tolerance in case of methanol crossover with the concentration up to 3.0 M in oxygen saturated alkaline electrolyte. Finally, our study demonstrates that the presence of N and S along with Fe-N moieties synergistically served as ORR active sites while the high surface area with accessible pores allowed for efficient mass transfer and interaction of oxygen molecules to the active sites contributing to the ORR activity of the catalyst.

08 HYDROGEN↗
DOE OSTI2020

Effects of momentum-dependent quasiparticle renormalization on the gap structure of iron-based superconductors

We discuss the influence of momentum-dependent correlations on the superconducting gap structure in iron-based superconductors. Within the weak coupling approach including self-energy effects at the one-loop spin-fluctuation level, we construct a dimensionless pairing strength functional which includes the effects of quasiparticle renormalization. The stationary solution of this equation determines the gap function at Tc. The resulting equations represent the simplest generalization of spin fluctuation pairing theory to include the effects of an anisotropic quasiparticle weight. We obtain good agreement with experimentally observed anisotropic gap structures in LiFeAs, indicating that the inclusion of quasiparticle renormalization effects in the existing weak-coupling theories can account for the observed anomalies in the gap structure of Fe-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nanoscale Manipulation of Wrinkle-Pinned Vortices in Iron-Based Superconductors

The controlled manipulation of Abrikosov vortices is essential for both fundamental science and logical applications. However, achieving nanoscale manipulation of vortices while simultaneously measuring the local density of states within them remain challenging. Here, we demonstrate the manipulation of Abrikosov vortices by moving the pinning center, namely one-dimensional wrinkles, on the terminal layers of Fe(Te,Se) and LiFeAs, by utilizing low-temperature scanning tunneling microscopy/spectroscopy (STM/S). The wrinkles trap the Abrikosov vortices induced by the external magnetic field. In some of the wrinkle-pinned vortices, robust zero-bias conductance peaks are observed. We tailor the wrinkle into short pieces and manipulate the wrinkles by using an STM tip. Strikingly, we demonstrate that the pinned vortices move together with these wrinkles even at high magnetic field up to 6 T. Our results provide a universal and effective routine for manipulating wrinkle-pinned vortices and simultaneously measuring the local density of states on the iron-based superconductor surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Microwave-assisted pyrolysis of liquid hydrocarbons using iron-based alumina catalysts obtained by solution combustion synthesis: The effect of synthesis parameters

The microwave-absorbing and catalytic properties of iron-based alumina (FeAl x O y ) materials have enabled their use as catalysts for the microwave-assisted generation of hydrogen and carbon via pyrolysis of hydrocarbons. Solution combustion synthesis (SCS) is a promising method to fabricate these materials, but the pyrolysis performance still needs to be improved. The present work investigated how altering the SCS parameters affects the pyrolysis of diesel fuel, gasoline, and crude oil. Two fuels (citric acid and glycine), four Fe:Al molar ratios, and two heating modes (hotplate and furnace) were tested. Fe/γ-Al 2 O 3 and Fe/β-SiC catalysts were prepared via incipient wetness impregnation for comparison. Among the three fossil fuels tested, diesel fuel yielded the highest amounts of H 2 and least amounts of CO x . The choice of fuel for the SCS process and the Fe/Al ratio strongly affected pyrolysis performance as they influence properties important for both catalysis and microwave absorption. The use of glycine resulted in catalysts that exhibited high H 2 yield and low CO 2 generation, which is explained by the revealed structural differences. The increase in the Fe:Al molar ratio accelerated microwave heating by adding more magnetic loss but also increased the amount of CO x . When the optimal SCS parameters were used, FeAl x O y catalysts outperformed Fe/γ-Al 2 O 3 and Fe/β-SiC. The high H 2 generation efficiency of the SCS catalysts is explained by their enhanced microwave-absorption properties. Scanning electron microscopy and energy dispersive X-ray spectroscopy revealed the formation of large-diameter CNTs via the tip-growth mechanism. The regeneration of SCS catalysts was demonstrated via the Boudouard reaction.

Carbon nanotubes↗