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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Perovskite Sr-doped LaCrO3 as a new p-type transparent conducting oxide

Transparent conducting oxides (TCOs) constitute a unique class of materials which combine the seemingly mutually exclusive properties of electrical conductivity and optical transparency in a single material. TCOs are useful for a wide range of applications including solar cells, displays, light emitting diodes and transparent electronics. Simple post-transition metal oxides such as ZnO, In2O3 and SnO2 are wide gap insulators in which the ionic character generates an oxygen 2p-derived valence band (VB) and a metal s-derived conduction band (CB), resulting in large optical band gaps (>3.0 eV) and excellent n-type conductivity when donor doped. In contrast, the development of efficient p-type TCOs remains a global materials challenge. Converting n-type oxides to p-type analogs by acceptor doping is extremely difficult and these materials display poor conductivity.

complex oxide↗
DOE OSTI2020

Theoretical study of the electronic, thermodynamic, and thermo-conductive properties of y-LiAlO2 with 6Li isotope substitutions for tritium production

Lithium aluminate has attracted researchers’ interests due to its wide applications. The structural, electronic, optical, lattice phonon thermodynamic, and thermo-conductive properties of ?-LiAlO2 with 6Li-isotope substitution are investigated by density functional theory and lattice phonon dynamics. The calculated results show that ?-LiAlO2 possesses a wide band-gap of 4.63 eV. The valence band is mainly formed by p orbitals of Li, O, and Al. The calculated lattice thermal conductivity of ?-LiAlO2 is found to be in good agreement over a wide range of temperatures with the available experimental data. The calculated dielectric matrix shows anisotropic behavior along z and x (or y) axes. Due to the wide band-gap, the optical conductivity of ?-LiAlO2 is mainly contributed from the electron hopping between valence-conduction bands. Substitution of 7Li with 6Li isotope in ?-LiAlO2 leads to observable differences in the lattice phonon frequencies at higher frequencies (>8THz) and to slight changes in corresponding thermal conductivity and the infrared and Raman spectra which are in good agreement with the measured data. The relevance of these properties for tritium production through 6Li absorbing neutron in nuclear reactors is discussed.

ab initio thermodynamics, ?-LiAlO2 and 6Li-isotope↗
DOE OSTI2013

Suspension chemistry and electrophoretic deposition of zirconia electrolyte on conducting and non-conducting substrates

Graphical abstract: - Highlights: • Stable suspension of yttria stabilized zirconia (YSZ) obtained in isopropanol medium. • Suspension chemistry and process parameters for electrophoretic deposition optimized. • Deposited film quality changed with iodine and water (dispersants) concentration. • Dense YSZ film (∼5 μm) fabricated onto non-conducting porous NiO-YSZ anode substrate. - Abstract: Suspensions of 8 mol% yttria stabilized zirconia (YSZ) particulates in isopropanol medium are prepared using acetylacetone, iodine and water as dispersants. The effect of dispersants concentration on suspension stability, particle size distribution, electrical conductivity and pH of the suspensions are studied in detail to optimize the suspension chemistry. Electrophoretic deposition (EPD) has been conducted to produce thin and dense YSZ electrolyte films. Deposition kinetics have been studied in depth and good quality films on conducting substrate are obtained at an applied voltage of 15 V for 3 min. YSZ films are also fabricated on non-conducting NiO-YSZ anode substrate using a steel plate on the reverse side of the substrate. Upon co-firing at 1400 °C for 6 h a dense YSZ film of thickness ∼5 μm is obtained. Such a half cell (anode + electrolyte) can be used to fabricate a solid oxide fuel cell on applying a suitable cathode layer.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Poly(diallylmethylammonium) proton conducting membranes with high ionic conductivity at intermediate temperatures

High temperature proton exchange membrane fuel cells are being lately investigated because of their high energy efficiency, their superior heat/water management, CO tolerance, and electrode reaction kinetics. To further advance this technology, the polymer membrane portfolio and performance should be improved for intermediate or high temperature operation (>100 °C). In this work we present new poly(diallylmethylammonium) proton conducting membranes with high ionic conductivity at 120 °C. First, new protic ionic liquids, hereafter called DAMAH + X - , were synthesized leading to diallylmethylammonium monomers with different counter-anions. By radical cyclopolymerization through thermal and photoinitiation mechanisms, self-standing protic polymeric membranes of poly(diallylmethylammonium X - ) were obtained. Membranes showed good thermal stability (>250 °C) and mechanical properties without the need of additives such as (protic) ionic liquids, solvents or inorganic charges. Great attention was paid to understand the effect of the different counter-anions on the membrane properties. As a general trend, fluorinated anions coming from strong acids confer high ionic conductivity and allow to reduce the hygroscopic properties on the protic polymeric membranes. Proton structural and dynamical stability at different temperatures and humidification conditions were investigated by Neutron Scattering (QENS and NR). The optimized poly(diallylmethylammonium X - ) shows similar ionic conductivity values than Nafion 212 under varying relative humidity conditions at 80 °C. Furthermore, it shows a high ionic conductivity value of 1.9 × 10 -3 Scm -1 at 120 °C under dry conditions.

08 HYDROGEN↗
DOE OSTI2019

A high temperature instrument for consecutive measurements of thermal conductivity, electrical conductivity, and Seebeck coefficient

A device for measuring a plurality of material properties is designed to include accurate sensors configured to consecutively obtain thermal conductivity, electrical conductivity, and Seebeck coefficient of a single sample while maintaining a vacuum or inert gas environment. Four major design factors are confirmed as sample-heat spreader mismatch, radiation losses, parasitic losses, and sample surface temperature variance. The design is analyzed using finite element methods for high temperature ranges up to 1000°C as well as ultra-high temperatures up to 2500°C. A temperature uncertainty of 0.46% was estimated for a sample with cold and hot sides at 905.1 and 908.5°C, respectively. The uncertainty at 1000°C was calculated to be 0.7% for a ΔT of 5°C between the hot and cold sides. The thermal conductivity uncertainty was calculated to be -8.6% at ~900°C for a case with radiative gains, and +8.2% at ~1000°C for a case with radiative losses, indicating the sensitivity of the measurement to the temperature of the thermal guard in relation to the heat spreader and sample temperature. Lower limits of -17 and -13% error in thermal conductivity measurements were estimated at the ultra-high temperature of ~2500°C for a single-stage and double-stage radiation shield, respectively. Lastly, it is noted that this design is not limited to electro-thermal characterization and will enable measurement of ionic conductivity and surface temperatures of energy materials under realistic operating conditions in extreme temperature environments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Co-Percolating Graphene-Wrapped Silver Nanowire Network for High Performance, Highly Stable, Transparent Conducting Electrodes

Transparent conducting electrodes (TCEs) require high transparency and low sheet resistance for applications in photovoltaics, photodetectors, flat panel displays, touch screen devices and imagers. Indium tin oxide (ITO), or other transparent conductive oxides, have typically been used, and provide a baseline sheet resistance (RS) vs. transparency (T) relationship. However, ITO is relatively expensive (due to limited abundance of Indium), brittle, unstable, and inflexible; moreover, ITO transparency drops rapidly for wavelengths above 1000 nm. Motivated by a need for transparent conductors with comparable (or better) RS at a given T, as well as flexible structures, several alternative material systems have been investigated. Single-layer graphene (SLG) or few-layer graphene provide sufficiently high transparency (≈97% per layer) to be a potential replacement for ITO. However, large-area synthesis approaches, including chemical vapor deposition (CVD), typically yield films with relatively high sheet resistance due to small grain sizes and high-resistance grain boundaries (HGBs). In this paper, we report a hybrid structure employing a CVD SLG film and a network of silver nanowires (AgNWs): RS as low as 22 Ω/ (stabilized to 13 Ω/ after 4 months) have been observed at high transparency (88% at λ = 550 nm) in hybrid structures employing relatively low-cost commercial graphene with a starting RS of 770 Ω/. This sheet resistance is superior to typical reported values for ITO, comparable to the best reported TCEs employing graphene and/or random nanowire networks, and the film properties exhibit impressive stability under mechanical pressure, mechanical bending and over time. The design is inspired by the theory of a co-percolating network where conduction bottlenecks of a 2D film (e.g., SLG, MoS2) are circumvented by a 1D network (e.g., AgNWs, CNTs) and vice versa. The development of these high-performance hybrid structures provides a route towards robust, scalable and low-cost approaches for realizing high-performance TCE.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Observation of Weak Counterion Size Dependence of Thermoelectric Transport in Ion Exchange Doped Conducting Polymers Across a Wide Range of Conductivities

Conducting polymers are of interest for a broad range of applications from bioelectronics to thermoelectrics. The factors that govern their complex charge transport physics include the structural disorder present in these highly doped polymer films and the Coulombic interactions between the electronic charge carriers and the dopant counterions. Previous studies have shown that at low doping levels carriers are strongly trapped in the vicinity of the counterions, while at high doping levels charge transport is not limited by Coulombic trapping, which manifests itself in the conductivity being independent of the size of the dopant counterion. Here a recently developed ion exchange doping method is used to investigate the ion size dependence of a semicrystalline polythiophene–based model system across a wide range of conductivities. It is found that the regime in which the charge and thermoelectric transport is not or only weakly dependent on ion size, extends to surprisingly low conductivities. This surprising observation is explained by a heterogeneous doping that involves doping of the amorphous domains to high doping levels first before doping of the ordered, crystalline domains occurs. The study provides new insights into how the thermoelectric physics of conducting polymers evolves as a function of doping level.

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

Origin of Intrinsically Low Thermal Conductivity in Talnakhite Cu 17.6 Fe 17.6 S 32 Thermoelectric Material: Correlations between Lattice Dynamics and Thermal Transport

Understanding the nature of phonon transport in solids and the underlying mechanism linking lattice dynamics and thermal conductivity is important in many fields, including the development of efficient thermoelectric materials where a low lattice thermal conductivity is required. Herein, we choose the pair of synthetic chalcopyrite CuFeS 2 and talnakhite Cu 17.6 Fe 17.6 S 32 compounds, which possess the same elements and very similar crystal structures but very different phonon transport, as contrasting examples to study the influence of lattice dynamics and chemical bonding on the thermal transport properties. Chemically, talnakhite derives from chalcopyrite by inserting extra Cu and Fe atoms in the chalcopyrite lattice. The CuFeS 2 compound has a lattice thermal conductivity of 2.37 W m -1 K -1 at 625 K, while Cu 17.6 Fe 17.6 S 32 features Cu/Fe disorder and possesses an extremely low lattice thermal conductivity of merely 0.6 W m -1 K -1 at 625 K, approaching the amorphous limit κmin. Low-temperature heat capacity measurements and phonon calculations point to a large anharmonicity and low Debye temperature in Cu 17.6 Fe 17.6 S 32 , originating from weaker chemical bonds. Moreover, Mössbauer spectroscopy suggests that the state of Fe atoms in Cu 17.6 Fe 17.6 S 32 is partially disordered, which induces the enhanced alloy scattering. All of the above peculiar features, absent in CuFeS 2 , contribute to the extremely low lattice thermal conductivity of the Cu 17.6 Fe 17.6 S 32 compound.

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

Electrochemical Reduction of Ag 2 VP 2 O 8 Composite Electrodes Visualized via In situ Energy Dispersive X-ray Diffraction (EDXRD). Unexpected Conductive Additive Effects

In our study, we characterize the deposition of silver metal nanoparticles formed during discharge of Li/Ag 2 VP 2 O 8 cells with composite cathodes containing conductive carbon additive. Using in situ energy dispersive X-ray diffraction (EDXRD) of an intact battery, the location and distribution of silver metal nanoparticles generated upon reduction-displacement deposition within an Ag 2 VP 2 O 8 cathode containing a pre-existing percolation network can be observed for the first time. Our study yielded unexpected results where higher rate initial discharge generated a more effective conductive matrix. This stands in contrast to cells with cathodes with no conductive additive where a low rate initial discharge proved more effective. Our results provide evidence that using conductive additives in conjunction with an in situ reduction-displacement deposition of silver metal provides a path toward the ultimate goal of complete electrical contact and full utilization of all electroactive particles.

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

Thermal conductivity in self-assembled CoFe 2 O 4 /BiFeO 3 vertical nanocomposite films

The thermal conductivity of self-assembled nanocomposite oxide films consisting of cobalt ferrite (CFO) spinel pillars grown within a single-crystal bismuth ferrite (BFO) perovskite matrix is described as a function of the volume fraction of the spinel. Single phase BFO and CFO had cross-plane thermal conductivities of 1.32 W m –1 K –1 and 3.94 W m –1 K –1 , respectively, and the thermal conductivity of the nanocomposites increased with the CFO volume fraction within this range. A small increase (~5%) in thermal conductivity for the pure CFO phase in the AC-demagnetized state was observed, suggesting possible magnon contributions. As a result, steady state gray-medium based variance-reduced Monte Carlo simulations show consistent trends with experimental data on the dependence of thermal conductivity with the CFO volume fraction.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal boundary conductance between high thermal conductivity boron arsenide and silicon

Thermal boundary conductance (TBC) is important for heat dissipation in light-emitting diodes (LEDs). In this study, we predicted the TBC between the high thermal conductivity boron arsenide (BAs) and silicon (Si) by nonequilibrium molecular dynamics (MD) simulations. From the thermal conductivity accumulation function with respect to phonon frequency, the dominant phonon frequencies for heat conduction in BAs are extremely different from those in Si. However, our nonequilibrium MD simulations indicated that the TBC of the BAs/Si interface was still high compared to most other interfaces, even though there was a major frequency mismatch in the thermal conductivity accumulation function between BAs and Si. The primary reason for the high TBC is the overlap of phonon density of states between BAs and Si in the frequency range of 5–8 THz. The range of predicted TBC of the BAs/Si interface was between 200 and 300 MW/m2 K in the temperature range of 300–700 K, and the values of the TBC were not sensitive to the temperature. We also found that the TBCs in Si/BAs and Si/Ge interfaces were close to each other considering the simulation uncertainty. This work indicates BAs as an excellent material for heat dissipation across the interfaces.

Wei, Zhiyong (ORCID:000000018686451X)↗