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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Interface Modifications by Anion Acceptors for High Energy Lithium Ion Batteries

Li-rich, Mn-rich (LMR) layered composite, for example, Li[Li0.2Ni0.2Mn0.6]O2, has attracted extensive interests because of its highest energy density among all cathode candidates for lithium ion batteries (LIB). However, capacity degradation and voltage fading are the major challenges associated with this series of layered composite, which plagues its practical application. Herein, we demonstrate that anion receptor, tris(pentafluorophenyl)borane ((C6F5)3B, TPFPB), substantially enhances the cycling stability and alleviates the voltage degradation of LMR. In the presence of 0.2 M TPFPB, Li[Li0.2Ni0.2Mn0.6]O2 shows capacity retention of 81% after 300 cycles. It is proposed that TPFPB effectively confines the highly active oxygen species released from structural lattice through its strong coordination ability and high oxygen solubility. The electrolyte decomposition caused by the oxygen species attack is therefore largely mitigated, forming reduced amount of byproducts on the cathode surface. Additionally, other salts such as insulating LiF derived from electrolyte decomposition are also soluble in the presence of TPFPB. The collective effects of TPFPB mitigate the accumulation of parasitic reaction products and stabilize the interfacial resistances between cathode and electrolyte during extended cycling, thus significantly improving the cycling performance of Li[Li0.2Ni0.2Mn0.6]O2.

anion receptor↗
DOE OSTI2014

From coin cells to 400 mAh pouch cells: Enhancing performance of high-capacity lithium-ion cells via modifications in electrode constitution and fabrication

In this article we describe efforts to improve performance and cycle life of cells containing Li1.2Ni0.15Mn0.55Co0.1O2-based positive and graphite-based negative electrodes. Initial work to identify high-performing materials, compositions, fabrication variables, and cycling conditions is conducted in coin cells. The resulting information is then used for the preparation of double-sided electrodes, assembly of pouch cells, and electrochemical testing. We report the cycling performance of cells with electrodes prepared under various conditions. Our data indicate that cells with positive electrodes containing 92 wt% Li1.2Ni0.15Mn0.55Co0.1O2, 4 wt% carbons (no graphite), and 4 wt% PVdF (92-4-4) show ~20% capacity fade after 1000 cycles in the 2.5-4.4V range, significantly better than our baseline cells that show the same fade after only 450 cycles. Our analyses indicate that the major contributors to cell energy fade are capacity loss and impedance rise. Therefore incorporating approaches that minimize capacity fade and impedance rise, such as electrode coatings and electrolyte additives, can significantly enhance calendar and cycle life of this promising cell chemistry.

Electrode fabrication↗
DOE OSTI2022

Modification of lithium electrodeposition behavior by variation of electrode distance

Developing a better understanding and control over the lithium electrodeposition behavior will assist with the commercial application of lithium metal anodes for rechargeable batteries. Despite intensive research over the past decade, our understanding of the deposition of lithium is limited. Here a new observation on the effect of distance between the working electrode and the counter electrode for electrochemical lithium deposition behavior is reported. From this fundamental investigation of distance, the high lithium ion concentration regions formed by release of lithium ions from the counter electrode modify the lithium deposition behavior on the working electrode, resulting in the generation of non-uniform lithium dendrites with a thick diversely composed surface film. Alternatively, increasing the distance between the electrodes results in the deposition of a spherical lithium morphology with a thin LiF rich surface film. Here, this fundamental study provides a deeper understanding of correlation between lithium deposition behavior and electrode separation and provides insight to inhibit lithium dendrite formation.

25 ENERGY STORAGE↗
DOE OSTI2012

Modification of Ni state to promote the stability of Ni-Al{sub 2}O{sub 3} catalyst in methane decomposition to produce hydrogen and carbon nanofibers

The methodology was illustrated for modifying the state of Ni to promote the stability of the coprecipitated Ni-Al{sub 2}O{sub 3} catalyst via incorporating ZnO and Cu in methane decomposition to produce hydrogen and carbon nanofibers. The influences of the incorporation on the state of Ni were examined with XRD, TPR, XPS and TEM. For the incorporation of ZnO, ZnAl{sub 2}O{sub 4} spinel-like structure could be formed in the interface between ZnO and Al{sub 2}O{sub 3}. The interaction between Ni and the ZnAl{sub 2}O{sub 4} structure can promote both the activity and the stability of Ni in methane decomposition. The formation of a Ni-Cu alloy from Ni and the incorporated Cu decreases the activity of Ni, however, promotes the stability pronouncedly. - Graphical abstract: Highlights: Black-Right-Pointing-Pointer Methodology for modifying Ni state of coprecipitated Ni-Al{sub 2}O{sub 3} was illustrated. Black-Right-Pointing-Pointer Influence of incorporating ZnO/Cu on Ni state of Ni-Al{sub 2}O{sub 3} was compared. Black-Right-Pointing-Pointer Influence of modifying Ni state on performance of Ni-Al{sub 2}O{sub 3} was investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Modification of carbon nanotubes by CuO-doped NiO nanocomposite for use as an anode material for lithium-ion batteries

CuO-doped NiO (CuNiO) with porous hexagonal morphology is fabricated via a modified in-situ co-precipitation method and its nanocomposite is prepared with carbon nanotubes (CNTs). The electrochemical properties of CuNiO/CNT nanocomposite are investigated by cyclic voltammetry (CV), galvanostatic charge–discharge tests and electrochemical impedance spectroscopy (EIS). Since Cu can both act as conductor and a catalyst, the CuNiO/CNT nanocomposite exhibits higher initial coulombic efficiency (82.7% of the 2nd cycle) and better capacity retention (78.6% on 50th cycle) than bare CuNiO (78.9% of the 2nd cycle), CuO/CNT (76.8% of the 2nd cycle) and NiO/CNT (77.7% of the 2nd cycle) at the current density of 100 mA /g. This high capacity and good cycling ability is attributed to the partial substitution of Cu{sup +2} for Ni{sup +2}, resulting in an increase of holes concentration, and therefore improved p-type conductivity along with an intimate interaction with CNTs providing large surface area, excellent conduction, mechanical strength and chemical stability. - Graphical abstract: The porous CuNiO/CNT nanocomposite synthesized via a modified co-precipitation method in combination with subsequent calcination was applied in the negative electrode materials for lithium-ion batteries and exhibited high electrochemical performance. - Highlights: • CuO doped NiO/CNTs nano composite is achieved via a simple co-precipitation method. • Monodispersity, shape and sizes of sample particles is specifically controlled. • Good quality adhesion between CNTs and CuNiO is visible from TEM image. • High electrochemical performance is achieved. • Discharge capacity of 686 mA h/g after 50 cycles with coulombic efficiency (82.5%)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Atomic and molecular layer deposition for surface modification

Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

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

Structural characterization of a new vacancy ordered perovskite modification found for Ba{sub 3}Fe{sub 3}O{sub 7}F (BaFeO{sub 2.333}F{sub 0.333}): Towards understanding of vacancy ordering for different perovskite-type ferrites

The new vacancy ordered perovskite-type compound Ba{sub 3}Fe{sub 3}O{sub 7}F (BaFeO{sub 2.33}F{sub 0.33}) was prepared by topochemical low-temperature fluorination of Ba{sub 2}Fe{sub 2}O{sub 5} (BaFeO{sub 2.5}) using stoichiometric amounts of polyvinylidene difluoride (PVDF). The vacancy order was found to be unique so far for perovskite compounds, and the connectivity pattern can be explained by the formula Ba{sub 3}(FeX{sub 6/2}) (FeX{sub 5/2}) (FeX{sub 3/2}X{sub 1/1}), with X=O/F. Mössbauer measurements were used to confirm the structural analysis and agree with the presence of Fe{sup 3+} in the above mentioned coordination environments. Group–subgroup relationships were used to build a starting model for the structure solution and to understand the relationship to the cubic perovskite structure. Furthermore, a comparison of a variety of vacancy-ordered iron-containing perovskite-type structures is given, highlighting the factors which favour one structure type over the other depending on the composition. - Graphical abstract: The crystal structure of Ba{sub 3}Fe{sub 3}O{sub 7}F in comparison to other perovskite type ferrites. - Highlights: • The crystal structure of Ba{sub 3}Fe{sub 3}O{sub 7}F in comparison to other perovskite type ferrites. • Ba{sub 3}Fe{sub 3}O{sub 7}F was synthesized by low temperature fluorination of Ba{sub 2}Fe{sub 2}O{sub 5}. • Ba{sub 3}Fe{sub 3}O{sub 7}F shows a unique vacancy order not found for other perovskite type compounds. • The structure of Ba{sub 3}Fe{sub 3}O{sub 7}F was solved using group–subgroup relationships. • A systematic comparison to other ferrite type compounds reveals structural similarities and differences. • The A-site coordination of the cation is shown to play an important role for the type of vacancy order found.

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

Structural features of silver-doped phosphate glasses in zone of femtosecond laser-induced modification

Femtosecond (fs) laser writing of two-dimensional microstructures (waveguides) is demonstrated in bulk phosphate glasses doped with silver ions. Silver-content phosphate and silver-content niobium–phosphate glasses with high concentration of silver oxide 55 mol% were used as samples for fs laser writing. The chemical network structure of the synthesized samples is analyzed through Raman spectroscopy and was found to be strongly sensitive to Nb incorporation. It was found that the direct laser writing process enables not only reorganization of glass network, but also formation of color centers and silver nanoparticles that are revealed in appearance of luminescence signal and plasmon absorption. The process of NPs' formation is more efficient for Nb-phosphate glass, while color centers are preferably formed in phosphate glass. - Graphical abstract: Formation of silver NPs on the surface of 0.5Ag{sub 2}O–0.4P{sub 2}O{sub 5}–0,1Nb{sub 2}O{sub 5} glass induced by CW laser irradiation. - Highlights: • The structure of 0.5Ag{sub 2}O–0.1Nb{sub 2}O{sub 5}–0.4P{sub 2}O{sub 5} and 0.55Ag{sub 2}O–0.45P{sub 2}O{sub 5} glasses was investigated by Raman spectroscopy. • Fs laser writing induces formation of silver NPs in investigated glasses. • Surface plasmon resonance in the absorption spectra confirms the formation of NP. • The possibility of CW laser induced formation of silver NPs on the surface of sample with niobium is shown.

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

Additives and solvents-induced phase and morphology modification of NaYF{sub 4} for improving up-conversion emission

Both cubic and hexagonal NaYF{sub 4} were synthesized in different reaction systems via hydro/solvo-thermal route. The effects of reaction temperature, solvents, and additives on the synthesis of NaYF{sub 4} have been studied in detail. It has been shown that phase transformation from cubic NaYF{sub 4} to hexagonal NaYF{sub 4} always occurred. The sequence of the ability for inducing the phase transformation was ethanol>H{sub 2}O>acetic acid. It is found that ethanol can not only facilitate the formation of hexagonal NaYF{sub 4} but also control the growth of the crystal. This is quite unusual for the growth of H-NaYF{sub 4}. The up-conversion emission properties of Yb/Er co-doped NaYF{sub 4} have also been investigated and the results demonstrated some general principles for improving up-conversion emission. - Graphical abstract: Additives and solvents can induce the phase transformation of NaYF{sub 4}, typically the use of organic sodium salt and ethanol. - Highlights: • The effect of additives and solvents on the synthesis of NaYF{sub 4} was studied in detail. • Ethanol can facilitate the formation of H-NaYF{sub 4} while acetic acid restrain it. • Three general principles for improving up-conversion emission were summarized.

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

On the state of Mn in Mn{sub x}Zn{sub 1−x}O nanoparticles and their surface modification with isonipecotic acid

Mn-doped ZnO (Mn{sub x}Zn{sub 1−x}O) nanoparticles were synthesized by the co-precipitation method and coated with isonipecotic acid as capping ligand. The structure, composition and morphology of the resulting nanomaterial were investigated by energy disperse X-ray analysis, X-ray diffraction, and transmission electron microscopy data. Such measurements showed that the solid obtained contains 6 at% of Mn and it is formed by a highly crystalline material with 3–5 nm range of crystallite size, and only a small elongation of its cell parameter with respect to undoped ZnO wurtzite unit cell. Information on the state of manganese atom in the Mn{sub x}Zn{sub 1−x}O nanostructures formed was obtained from X-ray photoelectron (XPS) and electron energy loss (EELS) spectroscopies. XPS and EELS spectra are composed of four peaks, corresponding to two species of Mn(II) and signals from Mn(III) and Mn(IV). Such spectral data on the state of Mn in the material studied is consistent with the mapping of Mn distribution observed in recorded transmission electron microscopy images, which reveal presence of clusters of Mn atoms. Only a fraction of doping Mn atoms were found forming a solid solution with the host ZnO structure. The functionalization of the nanoparticles system with Isonipecotic acid shows that this molecule remains anchored to the nanoparticles surface mainly through its N basic site. The availability of free carboxylate groups in the capping molecule was tested by conjugation to type IV horseradish peroxidase. - Graphical abstract: State of Mn atoms in Mn-doped ZnO nanostructures prepared by the precipitation method, their capping with isonipecotic acid and subsequent conjugation to peroxidase. - Highlights: • State of manganese in manganese-doped zinc oxide nanoparticles. • Isonipecotic acid as surface modifier of ZnO nanoparticles. • Peroxidase conjugation to ZnO nanoparticles modified with isonipecotic acid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Surface modification of sol–gel synthesized TiO{sub 2} nanoparticles induced by La-doping

The influence of La-doping in the range of 0.5–6.0 mol% on structural and morphological properties of TiO{sub 2} nanopowders synthesized by sol–gel routine has been investigated by XRPD, AFM, EDS and BET measurements, as well as Raman spectroscopy. The XRPD and Raman measurements have revealed the anatase phase as dominant in all nanopowders, with crystallite size decreasing from ∼ 15 nm in pure TiO{sub 2} to ∼ 12 nm in La-doped samples. The BET data suggest that all samples are fully mesoporous, with mean pore diameters in the range of ∼ 6–8 nm. The specific surface area and the complexity of pore structure are greater in doped samples than in pure TiO{sub 2} sample. The spectroscopic ellipsometry has apparently shown that the band gap has been gradually increased with the increase of La content. The STM and STS techniques have been used successfully to evaluate the surface morphology and electronic properties of La-doped nanopowders. All investigated properties have been related to photocatalytic activity, tested in degradation of a metoprolol tartrate salt (0.05 mM), and induced by UV-radiation. All doped samples showed increased photocatalytic activity compared to pure TiO{sub 2}, among which the 0.65 mol% La-doped sample appeared to be the most efficient. - Highlights: • Effects of La-doping on structural, morphological and electronic properties of TiO{sub 2} nanopowders. • Surface morphology and electronic properties of La-doped nanopowders evaluated by STM/STS. • Spectroscopic ellipsometry shown gradual increase of bandgap with the increase of La content. • Photocatalytic activity of samples was tested in degradation of MET under UV light.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Modification of microstructure and properties of Ti-47Al-2Cr-4Nb-0.3W alloys fabricated by SPS with trace multilayer graphene addition

Highlights: • The TiAl alloys with different content addition of multilayer graphene were fabricated. • When the graphene content is 0.8 at.%, the mean grain size decreases to 8.2 μm. • The bending and fracture strength increase to 1000 MPa and 2347 MPa, respectively. • The friction coefficient decreased from 0.6 to 0.4, with a decrease by 1/3. - Abstract: In this paper, Ti-47Al-2Cr-4Nb-0.3W alloys with trace multilayer graphene addition were fabricated by spark plasma sintering to enhance both mechanical properties and tribological property simultaneously. With the addition of multilayer graphene, bending strength, compressive strength and tribological property of TiAl alloys are all improved. When graphene content increases from zero to 0.8 at.%, the mean grain size decreases from 14.8 ± 1.4 μm to 8.2 ± 0.8 μm. The bending strength reaches almost 1000 MPa and the fracture strength increases to 2347 ± 12 MPa, an increase of 15% compared with TiAl alloy. The friction coefficient also decreases from about 0.6 to 0.4, a decrease by 1/3 compared with TiAl alloy. The reasons for the improved mechanical properties and tribological property are the in-situ reaction plate-shape Ti{sub 2}AlC phase, fine needle-like Ti{sub 3}AlC phase as well as fine and homogeneous microstructure. The wear mechanism changes from abrasive wear to abrasive wear plus adhesive wear with the increased graphene content.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Modification of eutectic Mg2Si in AlMg5Si2Mn alloy by pre-homogenization deformation treatment with different reduction conditions

Highlights: • PHD treatment was proposed to modify Mg{sub 2}Si morphology of extruded AlMg5Si2Mn alloy. • PHD treatment accelerated spheroidization of eutectic Mg{sub 2}Si in AlMg5Si2Mn alloy. • Tensile properties of AlMg5Si2Mn extrudates were improved by introduction of PHD. - Abstract: The effect of a novel pre-homogenization deformation (PHD) treatment on the microstructure and mechanical properties of extruded AlMg5Si2Mn alloy was investigated. By introducing the cold compression prior to homogenization treatment, the brittle and interconnected eutectic Mg{sub 2}Si phase in the as-cast AlMg5Si2Mn alloy transformed into fine and spherical particles uniformly dispersed in the aluminum matrix. As the amount of PHD increased, up to 10%, the size of the Mg{sub 2}Si particles decreased and their sphericity increased in the extruded samples, resulting in a gradual increase in both strength and elongation after heat treatment. The mechanical properties of the PHD-treated AlMg5Si2Mn extrudates were compared with those of materials prepared using various casting and deformation processes, and the potential application to wrought products was discussed.

36 MATERIALS SCIENCE↗