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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Construction of a high-yield dengue virus by replacing nonstructural proteins 3–4B without increasing virulence

Highlights: • Dengue virus clinical isolate exhibits lower virus production in cultured cells. • The NS3-NS4B region of high-replicating laboratory strain enhances vRNA synthesis. • The replacement with the NS3-NS4B region of H241 does not increase virulence. Producing virus at high yield is critically important for development of whole virion inactivated vaccines or live attenuated vaccines. Most dengue virus (DENV) clinical isolates, however, replicate at low levels in cultured cells, which limits their use for vaccine development. The present study examined differences between low-replicating DENV clinical isolates and high-replicating laboratory strains with the aim of engineering high-yield DENV clinical isolates. Construction of a series of recombinant chimeric viruses derived from a high-replicating laboratory DENV type 4 (DENV-4) H241 strain and a clinical isolate revealed that the NS3-NS4B region of H241 conferred a replication advantage in cultured cells. Furthermore, northern blot analysis revealed that this advantage was due to more efficient synthesis of viral RNA. Importantly, replacement of the NS3-NS4B region of H241 did not increase virulence in mice, suggesting that viral production can be increased safely. This study provided information that will facilitate engineering of safe and high-yield viruses that can be used for vaccine development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Construction of EMSC-islet co-localizing composites for xenogeneic porcine islet transplantation

Highlights: • Endothelial-like mesenchymal stem cells (EMSC) are differentiated from MSCs. • EMSC-islet co-localizing composites may be an effective islet delivery modality. • EMSC-islet composites reduce the fragmentation of porcine islets. • EMSC-islet composites enhance the vascularization potential in vitro and in vivo. Pancreatic islet transplantation is an ultimate solution for treating patients with type 1 diabetes (T1D). The pig is an ideal donor of islets for replacing scarce human islets. Besides immunological hurdles, non-immunological hurdles including fragmentation and delayed engraftment of porcine islets need solutions to succeed in porcine islet xenotransplantation. In this study, we suggest a simple but effective modality, a cell/islet co-localizing composite, to overcome these challenges. Endothelial-like mesenchymal stem cells (EMSCs), differentiated from bone-marrow derived mouse mesenchymal stem cells (MSCs), and MSCs evenly coated the surface of porcine islets (>85%) through optimized culture conditions. Both MSCs and EMSCs significantly reduced the fragmentation of porcine islets and increased the islet masses, designated as islet equivalents (IEQs). In fibrin in vitro and in vivo angiogenesis analysis, constructed EMSC-islet composites showed higher angiogenic potentials than naked islets, MSC-islet composites, or human endothelial cell-islet composites. This novel delivery method of porcine islets may have beneficial effects on the engraftment of transplanted islets by prevention of fragmentation and enhancement of revascularization.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Constructing efficient CuO x -CeO 2 catalyst for NO reduction by CO: New insights into the structure–activity relationship

CuO-CeO 2 based materials have been recognized as promising substitutes for precious metal catalysts in emission control field due to their superior redox property and low cost. In this work, by optimizing the deposition process of CeO 2 and CuO onto γ-Al 2 O 3 , highly dispersed CuO clusters on unique CeO 2 -Al 2 O 3 support with small CeO 2 particles (7Cu-Ce/CeAl) were successfully constructed for efficient NO reduction by CO, which exhibited much higher NO removal efficiency and N 2 selectivity than CuO catalysts supported on γ-Al 2 O 3 (7Cu/Al) and conventional CeO 2 -Al 2 O 3 support (7Cu/CeAl). Moreover, H 2 O showed limited inhibition effect on the catalytic performance of 7Cu-Ce/CeAl catalyst. With the help of Raman spectra, X-ray absorption spectroscopy, in situ diffuse reflectance infrared Fourier transform spectroscopy, etc., it was clearly revealed that the abundant Cu + /Ce 3+ paired sites with surface synergetic oxygen vacancies (SSOV) on 7Cu-Ce/CeAl catalyst could effectively facilitate the adsorption and activation of CO and NO, thus significantly enhancing the NO removal efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Carbonation, strength development, and characterization of calcined limestone as a potential construction material

The emergence of the modern Portland cement has led to the downfall of lime as a construction material. Consequentially, its use has been limited to repair and restoration of historical buildings. Yet, its lower calcination temperature (~950 °C) and the ability to gain strength through carbonation implies its potential as a sustainable alternative to cement. In this study, calcined limestone was studied concerning its carbonation and strength development. Superplasticizer, raw limestone, and different carbonation regimes were explored as techniques to improve the composite strength development, a shortfall that hinders its re-adoption. The results indicated that the raw limestone as a partial replacement of the calcined limestone significantly improved the carbonation degree and mechanical properties. The average compressive strength reached 20 MPa under 20% CO{sub 2} due to the formation of an interconnected network of calcite as the dominant carbonation product. Supercritical CO{sub 2}, in contrast, formed disjoint particles or agglomerates of carbonates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Overall assessment of alkali-silica reaction affected recycled concrete aggregate mixtures derived from construction and demolition waste

A large amount of research has been conducted on the reuse of construction and demolition waste (CDW) in concrete. Yet, CDW may display pre-existing damage which raises concerns on its use. In this work, coarse recycled concrete aggregate (RCA) is reclaimed from distinct members of an alkali-silica reaction (ASR) affected overpass. RCA mixtures incorporating 50 and 100% replacement are then manufactured and stored in conditions enabling further ASR development. Mechanical (Stiffness Damage Test- SDT) and microscopic (Damage Rating Index- DRI) analyses are conducted at a fixed “secondary” induced expansion. Results indicate that the overall damage of ASR-affected RCA mixtures is different from conventional concrete and depends upon the “past” RCA condition. Furthermore, the DRI can capture the “past” and “secondary” expansion while the SDT simply detects the “secondary” distress. Finally, an adapted DRI version is proposed to better evaluate and distinguish “past” and “secondary” damage in ASR-affected recycled concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reactivity in cement pastes bearing fine fraction concrete and glass from construction and demolition waste: Microstructural analysis of viability

Converting construction and demolition waste (CDW) into secondary raw materials is one of the priorities of environmental policy and circular economy strategy. This study analysed the variation in eco-efficient paste reactivity with OPC replacement ratio (5% to 10%) and hydration time (2 d, 28 d and 90 d). Three types of CDW were explored: two (calcareous and siliceous) consisting of fine (4 AH{sub 13} and C{sub 4}AcH{sub 11}, ettringite and portlandite, were the same as observed in OPC hydration. These findings attest to the scientific viability recycling such CDWs as mineral additions in eco-cement manufacture and consequently eliminating the need for stockpiling these materials at recycling/storage plants.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Composite matrix construction for structured grid adaptive mesh refinement

Structured-grid adaptive mesh refinement (SAMR) is an approach to mesh generation that supports structured access to data and adaptive mesh refinement for discretized partial differential equations (PDEs). Solution algorithms often require that an inverse of an operator be applied, a system of algebraic equations must be solved, and this process is often the primary computational cost in an application. SAMR is well suited to geometric multigrid solvers, which can be effective, but often do not adapt well to complex geometry including material coefficients. Algebraic multigrid (AMG) is more robust in the face of complex geometry, in both boundary conditions and internal material interfaces. AMG requires a stored matrix linearization of the operator. We discuss an approach, and an implementation in the Chombo block-structured AMR framework, for constructing composite grid matrices from a SAMR hierarchy of grids for use in linear solvers in the PETSc numerical library. We consider a case study with the Chombo-based BISICLES ice sheet modeling application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Efficient Construction of a C 60 Interlayer for Mechanically Robust, Dendrite-free, and Ultrastable Solid-State Batteries

Interfacial instability between solid electrolytes (SEs) and lithium metal remains a daunting challenge for solid-sate batteries. Here, a conformal C 60 interlayer is efficiently constructed on Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) SEs by physical vapor deposition, and an ideal interfacial contact is achieved via forming an ionically conducting matrix of LixC60 with lithium metal. The obtained Li x C 60 is beneficial to hinder the growth of lithium dendrites at interface and release the local stress during the lithiation and delithiation. As a result, the Li/LAGP-C 60 /Li symmetric cells demonstrate ultra-stable cycling performance for more than 4,500 h at a current density of 0.034 mA cm -2 . The Li/LAGP-C 60 /LiFePO 4 full cells deliver a reversible capacity of 152.4 mAh g -1 at room temperature, and the capacity retention rate is 85% after more than 100 cycles. This work provides a feasible and scalable strategy to improve the SEs/Li interface for high-performance solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2015

An algebraic method for constructing stable and consistent autoregressive filters

In this paper, we introduce an algebraic method to construct stable and consistent univariate autoregressive (AR) models of low order for filtering and predicting nonlinear turbulent signals with memory depth. By stable, we refer to the classical stability condition for the AR model. By consistent, we refer to the classical consistency constraints of Adams–Bashforth methods of order-two. One attractive feature of this algebraic method is that the model parameters can be obtained without directly knowing any training data set as opposed to many standard, regression-based parameterization methods. It takes only long-time average statistics as inputs. The proposed method provides a discretization time step interval which guarantees the existence of stable and consistent AR model and simultaneously produces the parameters for the AR models. In our numerical examples with two chaotic time series with different characteristics of decaying time scales, we find that the proposed AR models produce significantly more accurate short-term predictive skill and comparable filtering skill relative to the linear regression-based AR models. These encouraging results are robust across wide ranges of discretization times, observation times, and observation noise variances. Finally, we also find that the proposed model produces an improved short-time prediction relative to the linear regression-based AR-models in forecasting a data set that characterizes the variability of the Madden–Julian Oscillation, a dominant tropical atmospheric wave pattern.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The construction of arbitrary order ERKN methods based on group theory for solving oscillatory Hamiltonian systems with applications

In general, extended Runge–Kutta–Nyström (ERKN) methods are more effective than traditional Runge–Kutta–Nyström (RKN) methods in dealing with oscillatory Hamiltonian systems. However, the theoretical analysis for ERKN methods, such as the order conditions, the symplectic conditions and the symmetric conditions, becomes much more complicated than that for RKN methods. Therefore, it is a bottleneck to construct high-order ERKN methods efficiently. In this paper, we first establish the ERKN group Ω for ERKN methods and the RKN group G for RKN methods, respectively. We then rigorously show that ERKN methods are a natural extension of RKN methods, that is, there exists an epimorphism η of the ERKN group Ω onto the RKN group G. This epimorphism gives a global insight into the structure of the ERKN group by the analysis of its kernel and the corresponding RKN group G. Meanwhile, we establish a particular mapping φ of G into Ω so that each image element is an ideal representative element of the congruence class in Ω. Furthermore, an elementary theoretical analysis shows that this map φ can preserve many structure-preserving properties, such as the order, the symmetry and the symplecticity. From the epimorphism η together with its section φ, we may gain knowledge about the structure of the ERKN group Ω via the RKN group G. In light of the theoretical analysis of this paper, we obtain high-order structure-preserving ERKN methods in an effective way for solving oscillatory Hamiltonian systems. Numerical experiments are carried out and the results are very promising, which strongly support our theoretical analysis presented in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

([M(NH{sub 3}){sub 6}][Ag{sub 4}M{sub 4}Sn{sub 3}Se{sub 13}]){sub ∞} (M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals

Herein we report solvothermal syntheses of two new three-dimensional chalcogenide frameworks ([M(NH{sub 3}){sub 6}][Ag{sub 4}M{sub 4}Sn{sub 3}Se{sub 13}]){sub n} (M=Zn (1), Mn (2)), which consist of quaternary metal selenide clusters with two different transition metals. The compounds represent the first Ag–Zn/Mn–Sn–Se based quaternary anionic frameworks. The optical studies show that the band gaps for 1 and 2 are 2.09 eV and 1.71 eV, respectively. Moreover, the photoelectrochemical study indicates that compound 1 displays n-type semiconducting behaviour and is photoactive under visible light illumination (λ>400 nm). - Graphical abstract: Two 3D framework selenides, [M(NH{sub 3}){sub 6}][Ag{sub 4}M{sub 4}Sn{sub 3}Se{sub 13}] (M=Zn (1), Mn (2)), constructed from quaternary metal selenide clusters, have been solvothermally synthesized and are photoactive under visible light illumination. - Highlights: • Two new three-dimensional selenide frameworks. • Quaternary metal selenide clusters with two different transition metals. • Photoelectrochemical study.

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

Hydrothermal synthesis, crystal structure and properties of a novel chain coordination polymer constructed by tetrafunctional phosphonate anions and cobalt ions

A novel cobalt phosphonate, [Co(HL)(H{sub 2}O){sub 3}]{sub n} (1) (L=N(CH{sub 2}PO{sub 3}H){sub 3}{sup 3−}) has been synthesized by hydrothermal reaction at 150 °C and structurally characterized by X-ray diffraction, infrared spectroscopy, elemental and thermogravimetric analysis. Complex 1 features a 1D chain structure with double-channel built from CoO{sub 6} octahedra bridged together by the phosphonate groups. Each cobalt ion is octahedrally coordinated by three phosphonate oxygen atoms and three water molecules. The coordinated water molecules can form the hydrogen bonds with the phosphonate oxygen atoms to link the 1D chains, building a 2D layered structure, further resulting in a 3D network. The luminescence spectrum indicates an emission maximum at 435 nm. The magnetic susceptibility curve exhibits a dominant antiferromagnetic behavior with a weakly ferromagnetic component at low temperatures. - Graphical abstract: The connectivity between cobalt ions and the ligands results in a chain structure with a 1D double-channel structure, which is constructed by A-type subrings and B-type subrings. - Highlights: • The tetrafunctional phosphonate ligand was used as the ligand. • A novel chain structure can be formed by A-type rings and B-type rings. • Two types of rings can form a 1D double-channel structure, along the c-axis.

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

A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr{sup 3+} in aqueous solutions

A novel series of Zn/Cd coordination polymers based on H{sub 3}L, namely, [Zn{sub 2}(HL){sub 2}(bipy){sub 2}(H{sub 2}O){sub 6}]{sub n} (1), [Zn(HL)(phen)]{sub n} (2), [Cd{sub 3}L{sub 2}(bbi){sub 3}]{sub n} (3), [Zn{sub 3}L{sub 2}(bbi){sub 3}]{sub n} (4) [(H{sub 3}L =4-[(1-carboxynaphthalen-2-yl)oxy]phthalic acid, bipy =4,4′-bipyridine, phen =1,10-phenanthroline, bbi =1,1′-(1,4-butanediyl)bis(imidazole] have been successfully synthesized by solvothermal reaction. Compound 1 possesses two diverse 1D chains constructed by different bipy coligands, which were further connected to form a 3D supramolecular architecture by hydrogen bonding interactions. Compound 2 possesses a complicated 1D chain based on secondary building unit (SBU) with binuclear Zn cluster. Compounds 3 and 4 exhibit similar 2D→3D framework, which can be rationalized as (3,4,4)-connected 3D net with a Schläfli symbol of (6{sup 3}.8.10{sup 2}){sub 2}(6{sup 3}){sub 2}(6{sup 4}.8.10). In particular, compound 3 exhibited a high sensitivity for Cr{sup 3+} in aqueous solutions, which suggest that compound 3 is a promising luminescent probe for selectively sensing Cr{sup 3+}. - Graphical abstract: A series of novel Zn/Cd coordination polymers have been successfully synthesized by solvothermal reaction. The unique 3D Cd{sup 2+} polymer containing bbi as second ligand demonstrates high sensitivity for detection of toxic Cr{sup 3+} in aqueous solutions. Display Omitted - Highlights: • π-conjugated semirigid tricarboxylate ligands with naphthalene rings(H{sub 3}L) were rationally designed. • Four Zn/Cd coordination polymers based on H{sub 3}L have been successfully synthesized by solvothermal reaction. • Compound 3 is a promising luminescent probe for selectively sensing Cr{sup 3+} with high sensitivity in aqueous solutions.

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

A series of coordination polymers constructed from R-isophthalic acid (R=–SO{sub 3}H, –NO{sub 2}, and –OH) and N-donor ligands: Syntheses, structures and fluorescence properties

Six novel Zn(II), Cd(II), and Cu(II) mixed-ligand coordination complexes, namely, [Zn{sub 2}Na(sip){sub 2}(bpp){sub 3}(Hbpp)(H{sub 2}O){sub 2}]·8H{sub 2}O (1), [Cd{sub 3}(sip){sub 2}(nbi){sub 6}(H{sub 2}O){sub 2}]·7H{sub 2}O (2), [Zn(sip)(nbi){sub 2}(H{sub 2}O)]·Hnbi·3H{sub 2}O (3), [Cd(hip)(nbi){sub 2}(H{sub 2}O)]·nbi·5H{sub 2}O (4), [Cd{sub 2}(nip){sub 2}(nbi){sub 2}(H{sub 2}O){sub 2}]·DMF (5), and [Cu(nip)(nbi)(H{sub 2}O){sub 2}]·H{sub 2}O (6) (H{sub 3}sip=5-sulfoisophthalic acid, H{sub 2}hip=5-hydroxylisophthalic acid, H{sub 2}nip=5-nitroisophthalic acid, bpp=1,3-bis(4-pyridyl)propane, and nbi=6-nitrobenzimidazole) have been synthesized hydrothermally by the self-assembly of R-isophthalic acid (R=–SO{sub 3}H, –NO{sub 2}, and –OH) and N-donor ligands. Single crystal X-ray analyses reveal that two Zn(II) ions and one Na(I) ion of complex 1 are linked through O atoms to generate a 1D linear chain. Then the 2D supramolecular architectures are constructed via intermolecular interactions. In complex 2, the Cd1 ions are connected by bridging carboxyl groups from sip{sup 3−} anions to form 1D double chain, which are further connected by Cd2 ions to afford 2D layer structure. The adjacent 2D layers are further linked via hydrogen-bonding interactions to give 3D supramolecular network. Compounds 3–5 show 1D chain structures, which are assembled into 2D or 3D supramolecular frameworks via weak interactions. In compound 6, the Cu(II) ions are bridged by the nip{sup 2−} ligands to form 48-membered ring, which is assembled into 1Dchain via the π-π stacking interaction. In addition, the thermal stabilities and fluorescence properties of these compounds have also been studied. - Graphical abstract: A series of Cd(II)/Zn(II)/ Cu(II) coordination polymers based on R-isophthalic acid (R=–SO{sub 3}H, –NO{sub 2}, and –OH) and N-donor ligands have been synthesized under hydrothermal conditions and structurally characterized. Photoluminescent properties have been discussed. - Highlights: • Six coordination polymers were synthesized based on mixed-ligand strategy. • The polycarboxylate acids play a crucial role in determining the final structures. • Each complex shows diverse structures and different supramolecular interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing

Eight Zn(II)-based coordination polymers, namely, [Zn{sub 2}L{sub 2}(2,2’-bipy)]{sub n}·nH{sub 2}O (1), [Zn{sub 2}L{sub 2}(phen)]{sub n}·nH{sub 2}O (2), [ZnL(phen)(H{sub 2}O)]{sub n} (3), [Zn{sub 3}L{sub 3}(4,4’-bipy)]{sub n} (4), [Zn{sub 2}L{sub 2}(4,4’-bipy){sub 2}]{sub n} [Zn{sub 2}L{sub 2}(H{sub 2}O){sub 2}]{sub n}·2nH{sub 2}O (5), [Zn{sub 4}L{sub 4}(bpp){sub 2}]{sub n} (6), [ZnL(bbi){sub 0.5}]{sub n} (7), [ZnL(bpz)]{sub n} (8) (H{sub 2}L=4,4’-([1,2-phenylenebis-(methylene)]bis(oxy))dibenzoic acid, 2,2’-bipy =2,2’-bipyridine, phen =1,10-phenanthroline, 4,4’-bpy=4,4’-bipyridine, bpp =1,3-bis(4-pyridyl)propane, bbi=1,4-bis(imidazol-1-yl)butane, bpz=3,3′,5,5′-tetramethyl-4,4′-bipyrazole), have been hydrothermally synthesized and structurally characterized. 1–8 display various coordination motifs with different entangled forms and conformations due to the effect of the assistant N-donor ligands. The photoluminescent properties of compounds 1–8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu{sup 2+} cations and CrO{sub 4}{sup 2-} anions, as well as detection ability for the different organic solvents and nitro explosives. These results indicated that it could be utilized as a multi-responsive luminescent sensor. Furthermore, compound 3 also shows good chemical resistance to both acidity and alkalinity solutions with pH ranging from 2 to 13. Thus, multi-photofunctionality and fluorescent response to pH have been combined in the 3, which is the first example in the Zn-based hybrid materials. - Graphical abstract: Eight new Zn(II)-based coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and different N-donor ligands have been hydrothermally synthesized through fixing the metal salts and the solvent systems. The photoluminescent properties of complexes 1−8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu{sup 2+} cations and CrO{sub 4}{sup 2-} anions, as well as detection ability for the different organic solvents and nitro explosives, in which indicates it could be utilized as a multi-responsive luminescent sensor. Furthermore, compound 3 also shows good chemical resistance to both acidity and alkalinity solutions with pH ranging from 2 to 13. Thus, multiphotofunctionality and fluorescent response to pH have been combined in the 3, which is the first example in the Zn-based hybrid materials.

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

Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units

Seven novel trimetallic coordination polymers, namely, [Li{sub 2}SrCu{sub 2}I{sub 2}(IN){sub 4}(DMF){sub 3}]{sub n}·nDMF (1), [LiSr{sub 2}Cu{sub 2}I{sub 2}(IN){sub 5}(DMF){sub 2}]{sub n} (2), [NaSr{sub 2}Cu{sub 2}I{sub 2}(IN){sub 4}(NO{sub 3})(DMF){sub 4}]{sub n}·nDMF·0.5nH{sub 2}O (3), [NaSr{sub 2}Cu{sub 2}I{sub 2}(IN){sub 5}(DMF){sub 4}]{sub n}·3nDMF·3nH{sub 2}O (4), [Li{sub 2}BaCu{sub 2}I{sub 2}(IN){sub 4}(DMF){sub 3}]{sub n}·nDMF (5), [Li{sub 2}Ba{sub 2}Cu{sub 2}I{sub 2}(IN){sub 4}(OAc){sub 2}(DMF){sub 3}]{sub n}·nDMF·0.5nH{sub 2}O (6), [Li{sub 2}Ba{sub 2}Cu{sub 2}I(IN){sub 7}(H{sub 2}O){sub 1.5}]{sub n}·0.5nH{sub 2}O (7) (IN = isonicotinic anion, DMF = N, N-dimethylformamide) have been synthesized via solvothermal method. All of the coordination polymers were characterized by single-crystal X-ray diffraction, FT-IR spectroscopy, elemental analysis and thermogravimetric analysis. Single-crystal X-ray diffraction determinations revealed that compounds 1–7 were three dimensional frameworks. Compounds 1–6 were assembled by Cu{sub 2}I{sub 2} units and different alkaline-carboxyl- alkaline-earth rod building units with different topologies; while, compound 7 was constructed by Cu{sub 2}I units and alkaline-carboxyl- alkaline-earth honeycomb layers. The photoluminscent investigations revealed that the compounds 1, 3, 5 and 6 emitted strong yellow, while compounds 2, 4 and 7 emitted strong orange light.

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

Construction of reduced graphene oxide supported molybdenum carbides composite electrode as high-performance anode materials for lithium ion batteries

Highlights: • Reduced graphene oxide supported molybdenum carbides are prepared by two-step strategy. • A unique sheet-on-sheet integrated nanostructure is favorable for fast ion/electron transfer. • The integrated electrode shows excellent Li ion storage performance. - Abstract: Metal carbides are emerging as promising anodes for advanced lithium ion batteries (LIBs). Herein we report reduced graphene oxide (RGO) supported molybdenum carbides (Mo{sub 2}C) integrated electrode by the combination of solution and carbothermal methods. In the designed integrated electrode, Mo{sub 2}C nanoparticles are uniformly dispersed among graphene nanosheets, forming a unique sheet-on-sheet integrated nanostructure. As anode of LIBs, the as-prepared Mo{sub 2}C-RGO integrated electrode exhibits noticeable electrochemical performances with a high reversible capacity of 850 mAh g{sup −1} at 100 mA g{sup −1}, and 456 mAh g{sup −1} at 1000 mA g{sup −1}, respectively. Moreover, the Mo{sub 2}C-RGO integrated electrode shows excellent cycling life with a capacity of ∼98.6 % at 1000 mA g{sup −1} after 400 cycles. Our research may pave the way for construction of high-performance metal carbides anodes of LIBs.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nanoparticles-constructed spinel ZnFe2O4 anode material with superior lithium storage performance boosted by pseudocapacitance

Highlights: • Nanoparticles-constructed ZnFe{sub 2}O{sub 4} was fabricated by co-precipitation method. • The ZnFe{sub 2}O{sub 4} sample shows excellent high rate capability and cycling stability. • The lithium storage mechanism was analyzed by CV and EIS measurements. • Pseudocapacitive effect has a significant contribution to the total stored charge. - Abstract: The practical application of ZnFe{sub 2}O{sub 4} in lithium ion batteries (LIBs) is severely hampered by its fast capacity fading and poor rate performance. To overcome these issues, herein, ZnFe{sub 2}O{sub 4} powders consist of aggregated nanoparticles (50∼100 nm) with porosity were prepared by a facile co-precipitation method and subsequent thermal decomposition. When used as anode material for LIBs, the ZnFe{sub 2}O{sub 4} sample delivers capacities of 920, 820, 650, 485, and 421 mA h g{sup −1} at current densities of 0.5, 1, 3, 7, and 10 A g{sup −1}, respectively. Moreover, the sample can maintain a capacity of 814 mA h g{sup −1} even after 300 cycles at the current density of 1 A g{sup −1}, implying an excellent rate capability and cycling stability. Cyclic voltammetry analysis reveals that both diffusion-controlled lithium storage and surface pseudocapacitive lithium storage contribute to the total stored charge of ZnFe{sub 2}O{sub 4}, which boosts the high rate capability and superior cycling stability of the ZnFe{sub 2}O{sub 4}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗