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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Grain boundary blocking of ionic conductivity in nanocrystalline yttria-doped ceria thin films

Nanocrystalline YDC thin films with grain-sizes ranging from 38 to 93-nm were prepared using pulsed laser deposition followed by thermal annealing. Ionic conductivity decreased up to four orders of magnitude as the grain size increased. Using energy-dispersive X-ray spectroscopy, we showed that the counter-intuitive reduction in conductivity with grain-size is likely due to dopant and impurity segregation near grain-boundaries. Spectroscopic evidence suggests that the blocking effect due to defect segregation is more dominant on ionic conductivity than the grain-sizes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Pd 2 Se 3 Monolayer: A Promising Two-Dimensional Thermoelectric Material with Ultralow Lattice Thermal Conductivity and High Power Factor

A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition-metal dichalcogenides possess high power factors, high lattice thermal conductivities significantly impede their practical applications. Our first-principles calculations show that these two ingredients are well fulfilled in the recently synthesized Pd 2 Se 3 monolayer, whose crystal structure is composed of [Se 2 ] 2- dimers, Se 2- anions, and Pd 2+ cations coordinated in a square-planar manner. Our detailed analysis of third-order interatomic force constants reveals that the anharmonicity and soft phonon modes associated with covalently bonded [Se 2 ] 2- dimers lead to ultralow lattice thermal conductivities in Pd 2 Se 3 monolayers (1.5 and 2.9 W m -1 K -1 along the a- and b-axes at 300 K, respectively), which are comparable to those of high-performance bulk thermoelectric materials such as PbTe. Moreover, the “pudding-mold” type band structure, caused by Pd 2+ (d 8 ) cations coordinated in a square-planar crystal field, leads to high power factors in Pd 2 Se 3 monolayers. Consequently, both electron- and hole-doped thermoelectric materials with a considerably high zT can be achieved at moderate carrier concentrations, suggesting that Pd 2 Se 3 is a promising two-dimensional thermoelectric material. Our results suggest that hierarchical chemical bonds, that is, coexistence of different types of chemical bonds, combined with a square-planar crystal field is a promising route for designing high-efficiency thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Conjugated Metal–Organic Macrocycles: Synthesis, Characterization, and Electrical Conductivity

The dimensional reduction of solids into smaller fragments provides a route to achieve new physical properties and gain deeper insight into the extended parent structures. Here, we report the synthesis of CuTOTP-OR (TOTP n – = 2,3,6,7-tetraoxidotriphenylene), a family of copper-based macrocycles that resemble truncated fragments of the conductive 2D metal–organic framework Cu 3 (HHTP) 2 (HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene). The planar metal–organic macrocycles self-assemble into ordered nanotubes with internal diameters of ~2 nm and short interlayer distances of ~3.20 Å. Strong π–π stacking interactions between macrocycles facilitate out-of-plane charge transport, and pressed pellet conductivities as high as 2(1)×10 -3 S cm -1 are observed. Peripheral alkyl functionalization enhances solution processability and enables the fabrication of thin-film field-effect transistor devices. Ambipolar charge transport is observed, suggesting similar behavior may be operative in Cu 3 (HHTP) 2 . By coupling the attractive features of metal–organic frameworks with greater processability, these macrocycles enable facile device integration and a more nuanced understanding of out-of-plane charge transport in 2D conductive metal–organic frameworks.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Intrinsically low thermal conductivity from a quasi-one-dimensional crystal structure and enhanced electrical conductivity network via Pb doping in SbCrSe 3

The development of new routes for the production of thermoelectric materials with low-cost and high-performance characteristics has been one of the long-term strategies for saving and harvesting thermal energy. We report a new approach for improving thermoelectric properties by employing the intrinsically low thermal conductivity of a quasi-one-dimensional (quasi-1D) crystal structure and optimizing the power factor with aliovalent ion doping. As an example, we demonstrated that SbCrSe 3 , in which two parallel chains of CrSe 6 octahedra are linked by antimony atoms, possesses a quasi-1D property that resulted in an ultra-low thermal conductivity of 0.56 W m -1 K -1 at 900 K. After maximizing the power factor by Pb doping, the peak ZT value of the optimized Pb-doped sample reached 0.46 at 900 K, which is an enhancement of 24 times that of the parent SbCrSe 3 structure. The mechanisms that lead to low thermal conductivity derive from anharmonic phonons with the presence of the lone-pair electrons of Sb atoms and weak bonds between the CrSe 6 double chains. Our results shed new light on the design of new and high-performance thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts [Balancing activity, stability and conductivity of nanoporous core-shell Ir/IrO 2 oxygen evolution catalysts]

The selection of oxide materials for catalyzing the Oxygen Evolution Reaction in acid-based electrolyzers must be guided by the proper balance between activity, stability and conductivity – a challenging mission of great importance for delivering affordable and environmentally friendly hydrogen. Here we report that the highly conductive nanoporous architecture of an iridium oxide shell on a metallic iridium core, formed through the fast dealloying of osmium from an Ir 25 Os 75 alloy, exhibits an exceptional balance between oxygen evolution activity and stability as quantified by the Activity-Stability FactorASF. Based on this metric, the nanoporous Ir/IrO 2 morphology of dealloyed Ir 25 Os 75 shows a factor of ~30 improvement ASFrelative to conventional Ir-based oxide materials and a ~8 times improvement over dealloyed Ir 25 Os 75 nanoparticles due to optimized stability and conductivity, respectively. Here, we propose that the Activity-Stability FactorASF is the key “metric” for determining the technological relevance of oxide-based anodic water electrolyzer catalysts.

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

Formation of the layered conductive magnet CrCl 2 (pyrazine) 2 through redox-active coordination chemistry [A non-innocent coordination chemistry approach to 2D conductive magnets]

The unique properties of graphene, transition-metal dichalcogenides and other two-dimensional (2D) materials have boosted interest in layered coordination solids. In particular, 2D materials that behave as both conductors and magnets could find applications in quantum magnetoelectronics and spintronics. Here, we report the synthesis of CrCl 2 (pyrazine) 2 , an air-stable layered solid, by reaction of CrCl 2 with pyrazine (pyz). This compound displays a ferrimagnetic order below ~55 K, reflecting the presence of strong magnetic interactions. Electrical conductivity measurements demonstrate that CrCl 2 (pyz) 2 reaches a conductivity of 32 mS cm -1 at room temperature, which operates through a 2D hopping-based transport mechanism. These properties are induced by the redox-activity of the pyrazine ligand, which leads to a smearing of the Cr 3 d and pyrazine π states. We suggest that the combination of redox-active ligands and reducing paramagnetic metal ions represents a general approach towards tuneable 2D materials that consist of charge-neutral layers and exhibit both long-range magnetic order and high electronic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Braking of tearing mode rotation by ferromagnetic conducting walls in tokamaks

An in-depth investigation of the braking of tearing mode rotation in tokamak plasmas via eddy currents induced in external ferromagnetic conducting structures is performed. In general, there is a “forbidden band” of tearing mode rotation frequencies that separates a branch of high-frequency solutions from a branch of low-frequency solutions. When a high-frequency solution crosses the upper boundary of the forbidden band, there is a bifurcation to a low-frequency solution, and vice versa. The bifurcation thresholds predicted by simple torque-balance theory (which takes into account the electromagnetic braking torque acting on the plasma, as well as the plasma viscous restoring torque, but neglects plasma inertia) are found to be essentially the same as those predicted by more complicated time-dependent mode braking theory (which takes inertia into account). Significant ferromagnetism causes otherwise electromagnetically thin conducting structures to become electromagnetically thick and also markedly decreases the critical tearing mode amplitude above which the mode “locks” to the conducting structures (i.e., the high-frequency to low-frequency bifurcation is triggered). On the other hand, if the ferromagnetism becomes too large, then the forbidden band of mode rotation frequencies is suppressed, and the mode frequency consequently varies smoothly and reversibly with the mode amplitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Effects of basal-plane thermal conductivity and interface thermal conductance on the hot spot temperature in graphene electronic devices

In this study, electrostatic force microscopy and scanning thermal microscopy are employed to investigate the electric transport and localized heating around defects introduced during transfer of graphene grown by chemical vapor deposition to an oxidized Si substrate. Numerical and analytical models are developed to explain the results based on the reported basal-plane thermal conductivity, κ, and interfacial thermal conductance, G , of graphene and to investigate their effects on the peak temperature. Irrespective of the κ values, increasing G beyond 4 × 10 7 W m –2 K –1 can reduce the peak temperature effectively for graphene devices made on sub-10 nm thick gate dielectric, but not for the measured device made on 300-nm-thick oxide dielectric, which yields a cross-plane thermal conductance ( G ox ) much smaller than the typical G of graphene. In contrast, for typical G values reported for graphene, increasing κ from 300 W m –1 K –1 toward 3000 W m –1 K –1 is effective in reducing the hot spot temperature for the 300-nm-thick oxide devices but not for the sub-10 nm gate dielectric case, because the heat spreading length (l) can be appreciably increased relative to the micron-scale localized heat generation spot size ( r 0 ) only when the oxide layer is sufficiently thick. As such, enhancement of κ increases the vertical heat transfer area above the gate dielectric only for the thick oxide case. In all cases considered, the hot spot temperature is sensitive to varying G and κ only when the G / G ox ratio and r 0 /l ratio are below about 5, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cold acclimation of mesophyll conductance, bundle‐sheath conductance and leakiness in Miscanthus × giganteus

Summary The cold acclimations of mesophyll conductance ( g m ), bundle‐sheath conductance ( g bs ) and the CO 2 concentrating mechanism (CCM) of C 4 plants have not been well studied. Here, we estimated the temperature response of g m , g bs and leakiness (ϕ), the amount of concentrated CO 2 that escapes the bundle‐sheath cells, for the chilling‐tolerant C 4 plant Miscanthus × giganteus grown at 14 and 25°C. To estimate these parameters, we combined the C 4 ‐enzyme‐limited photosynthesis model and the Δ 13 C discrimination model. These combined models were parameterised using in vitro activities of carbonic anhydrase (CA), pyruvate, phosphate dikinase (PPDK), ribulose‐1,5‐bisphosphate carboxylase/oxygenase (RuBisCO), and phospho enol pyruvate carboxylase (PEPc). Cold‐grown Miscanthus plants increased in vitro activities of RuBisCO and PPDK but decreased PEPc activity compared with warm‐grown plants. Mesophyll conductance and g bs responded strongly to measurement temperatures but did not differ between plants from the two growth temperatures. Furthermore, modelling showed that ϕ increased with measurement temperatures for both cold‐grown and warm‐grown plants, but was only marginally larger in cold‐grown compared with warm‐grown plants. Our results in Miscanthus support that g m and g bs are unresponsive to growth temperature and that the CCM is able to acclimate to cold through increased activity of PPDK and RuBisCO.

Serrano‐Romero, Erika A.↗
DOE OSTI2014

Degradation of transparent conductive properties of undoped ZnO and Ga-doped ZnO films left in atmospheric ambient for several years and trials to recover initial conductance

This study evaluated the long-term stability of the transparent conductive properties of undoped ZnO and Ga-doped ZnO (GZO) films that had been left in an atmospheric ambient environment for 5 to 6 yr. When ZnO films are stored in a clean room with a controlled temperature and humidity of 23 °C and 45%, respectively, throughout the year, the increases in sheet resistance are less than 5% of their initial value. The ZnO films stored in a non-air-conditioned laboratory room, whose temperature varies between 5 and 35 °C and humidity varies between 30% and 70% per year, suffer from increases in the sheet resistance by almost 13%, which is associated with a slight rise in the near-infrared transmittance level. Postannealing of these degraded ZnO films at 150–200 °C recovers the initial conductance by removing the H{sub 2}O molecules that have penetrated the film. One hour of irradiation with electron cyclotron resonance Ar plasma effectively restores the conductive surfaces while maintaining a temperature below 70 °C. The GZO films containing a few weight percent of Ga{sub 2}O{sub 3} are stable even when stored in a non-air-conditioned laboratory room, with changes in the sheet resistance of less than 3%. The GZO films with a Ga{sub 2}O{sub 3} content larger than 10 wt. %, however, exhibit serious degradation probably due to the strong affinity of segregated Ga{sub 2}O{sub 3} domains with H{sub 2}O vapor molecules. Neither postannealing nor Ar plasma irradiation can recover the initial sheet resistance of these GZO films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Measurement of Ionic Conductivity and Electrode Polarization at Low Temperatures on 8YSZ by a DC Technique

Measurement of ionic conductivity and electrode polarization resistance on a 8YSZ sample with platinum paste electrodes was conducted using a DC method with high input impedance meters over a temperature range from 119°C to 589°C. Over the entire temperature range, the meter resistance was much larger than the sample resistance including the polarization resistance. At lower temperatures, a faraday cage was used to minimize noise. The measured polarization resistance was also verified using electrochemical impedance spectroscopy. Ionic conductivity of 8YSZ exhibited Arrhenius behavior with an activation energy of ~1.1 eV, in good agreement with the literature. In the low current regime, electrode kinetics could be described by the linearized form of the Butler-Volmer equation. At higher current densities, electrode kinetics exhibited Tafel behavior. The polarization resistance exhibited Arrhenius behavior with the activation energy ranging between 1.05 and 1.27 eV. The present work shows that electrode polarizations can be investigated using a DC method. The approach may allow study of different electrodes in various atmospheres using one sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Electrically conductive carbon fiber layers as lightning strike protection for non-conductive epoxy-based CFRP substrate

A large amount of electrically conductive fillers is needed to enhance a Carbon Fiber Reinforced Plastics (CFRP) electrical conductivity enough to withstand lightning strikes of peak currents. However, such large alien constituents hamper the inherent good mechanical properties of CFRP structures. In this work, a solution has been proposed to retain both desired properties in a CFRP laminate. Layer-wise hybrid laminate has been demonstrated as a solution for lightning strike protection of Carbon Fiber Reinforced Plastics (CFRP). Top few layers of a hybrid laminate are prepared using electrically conductive polymer-based resin (CF/C-POLY) to provide effective dissipation of lightning current while epoxy-based CFRP substrate (CF/Epoxy) provides the main structural strength. An insulating adhesive layer is used to bond CF/C-POLY and CF/Epoxy to prepare the laminate. The hybrid laminates were tested for their effectiveness against lightning strikes. Laminates were struck by modified lightning waveform of component A with peak current of -14 kA and -40 kA. The performance of the laminates against lightning strike were evaluated using high speed camera, high-speed and thermal camera. It is found that CF/C-POLY layer successfully defended the main structural component i.e. CF/Epoxy from lightning direct damage.

36 MATERIALS SCIENCE↗