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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Radiation-Induced Segregation and Phase Stability in Candidate Alloys for the Advanced Burner Reactor

Major accomplishments of this project were the following: 1) Radiation induced depletion of Cr occurs in alloy D9, in agreement with that observed in austenitic alloys. 2) In F-M alloys, Cr enriches at PAG grain boundaries at low dose (<7 dpa) and at intermediate temperature (400°C) and the magnitude of the enrichment decreases with temperature. 3) Cr enrichment decreases with dose, remaining enriched in alloy T91 up to 10 dpa, but changing to depletion above 3 dpa in HT9 and HCM12A. 4) Cr has a higher diffusivity than Fe by a vacancy mechanism and the corresponding atomic flux of Cr is larger than Fe in the opposite direction to the vacancy flux. 5) Cr concentration at grain boundaries decreases as a result of vacancy transport during electron or proton irradiation, consistent with Inverse Kirkendall models. 6) Inclusion of other point defect sinks into the KLMC simulation of vacancy-mediated diffusion only influences the results in the low temperature, recombination dominated regime, but does not change the conclusion that Cr depletes as a result of vacancy transport to the sink. 7) Cr segregation behavior is independent of Frenkel pair versus cascade production, as simulated for electron versus proton irradiation conditions, for the temperatures investigated. 8) The amount of Cr depletion at a simulated planar boundary with vacancy-mediated diffusion reaches an apparent saturation value by about 1 dpa, with the precise saturation concentration dependent on the ratio of Cr to Fe diffusivity. 9) Cr diffuses faster than Fe by an interstitial transport mechanism, and the corresponding atomic flux of Cr is much larger than Fe in the same direction as the interstitial flux. 10) Observed experimental and computational results show that the radiation induced segregation behavior of Cr is consistent with an Inverse Kirkendall mechanism.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2011

Bypass Flow Study

Fluid dynamics experiments are being conducted in the matched-index-of-refraction flow system at the Idaho National Laboratory to develop benchmark databases. The data will be used to assess computational fluid dynamics solutions of the momentum equations, scalar mixing, and turbulence models for the flow ratios between coolant channels and bypass gaps in the interstitial regions of typical prismatic standard fuel element or upper reflector block geometries of typical modular high-temperature gas-cooled reactors in the limiting case of negligible buoyancy and constant fluid properties. The experiments use particle image velocimetry to measure the velocity fields that will populate the bypass flow study database. The matched-index-of-refraction modular high-temperature gas-cooled reactor bypass flow experiment measures flow velocity fields in the coolant channels and interstitial gaps between typical prismatic block standard fuel elements (SFEs) or upper reflector blocks.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Modeling investigation of the stability and irradiation-induced evolution of nanoscale precipitates in advanced structural materials

Materials used in extremely hostile environment such as nuclear reactors are subject to a high flux of neutron irradiation, and thus vast concentrations of vacancy and interstitial point defects are produced because of collisions of energetic neutrons with host lattice atoms. The fate of these defects depends on various reaction mechanisms which occur immediately following the displacement cascade evolution and during the longer-time kinetically dominated evolution such as annihilation, recombination, clustering or trapping at sinks of vacancies, interstitials and their clusters. The long-range diffusional transport and evolution of point defects and self-defect clusters drive a microstructural and microchemical evolution that are known to produce degradation of mechanical properties including the creep rate, yield strength, ductility, or fracture toughness, and correspondingly affect material serviceability and lifetimes in nuclear applications. Therefore, a detailed understanding of microstructural evolution in materials at different time and length scales is of significant importance. The primary objective of this work is to utilize a hierarchical computational modeling approach i) to evaluate the potential for nanoscale precipitates to enhance point defect recombination rates and thereby the self-healing ability of advanced structural materials, and ii) to evaluate the stability and irradiation-induced evolution of such nanoscale precipitates resulting from enhanced point defect transport to and annihilation at precipitate interfaces. This project will utilize, and as necessary develop, computational materials modeling techniques within a hierarchical computational modeling approach, principally including molecular dynamics, kinetic Monte Carlo and spatially-dependent cluster dynamics modeling, to identify and understand the most important physical processes relevant to promoting the “selfhealing” or radiation resistance in advanced materials containing nanoscale precipitates. In particular, the interfacial structure of embedded nanoscale precipitates will be evaluated by electronic- and atomic-scale modeling methods, and the efficiency of the validated interfaces for trapping point defects will next be evaluated by atomic-scale modeling (e.g., determining the sink strength of the precipitates), addressing key questions related to the optimal interface characteristics to attract point defects and enhance their recombination. Kinetic models will also be developed to simulate microstructural evolution of the nanoscale features and irradiation produced defect clusters, and compared with observed microstructural changes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Uncertainty Quantification and Management for Multi-scale Nuclear Materials Modeling

Understanding and improving microstructural mechanical stability in metals and alloys is central to the development of high strength and high ductility materials for cladding and cores structures in advanced fast reactors. Design and enhancement of radiation-induced damage tolerant alloys are facilitated by better understanding the connection of various unit processes to collective responses in a multiscale model chain, including: dislocation nucleation, absorption and desorption at interfaces; vacancy production, radiation-induced segregation of Cr and Ni at defect clusters (point defect sinks) in BCC Fe-Cr ferritic/martensitic steels; investigation of interaction of interstitials and vacancies with impurities (V, Nb, Ta, Mo, W, Al, Si, P, S); time evolution of swelling (cluster growth) phenomena of irradiated materials; and energetics and kinetics of dislocation bypass of defects formed by interstitial clustering and formation of prismatic loops, informing statistical models of continuum character with regard to processes of dislocation glide, vacancy agglomeration and swelling, climb and cross slip.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Electronic Structure Calculations of Oxygen Atom Transport Energetics in the Presence of Screw Dislocations in Tungsten

Plastic flow in body-centered cubic (bcc) alloys is governed by the thermally-activated motion of screw dislocations in close-packed planes. In bcc interstitial solid solutions, solute diffusion can occur at very fast rates owing to low migration energies and solute concentrations. Under mechanical loading, solutes may move on the same or similar time scale as dislocations glide, even at low temperatures, potentially resulting in very rich co-evolution processes that may have important effects in the overall material response. It is therefore important to accurately quantify the coupling between interstitial impurities and dislocations, so that larger-scale models can correctly account for their interactions. In this paper, we use electronic structure calculations to obtain the energetics of oxygen diffusion under stress and its interaction energy with screw dislocation cores in bcc tungsten. We find that oxygen atoms preferentially migrate from tetrahedral to tetrahedral site with an energy of 0.2 eV. This energy couples only weakly to hydrostatic and deviatoric deformations, with activation volumes of less than 0.02 and 0.02 b 3 , respectively. The strongest effect is found for the inelastic interaction between O atoms and screw dislocation cores, which leads to attractive energies between 1.2 and 1.9 eV and sometimes triggers a transformation of the screw dislocation core from an easy core configuration to a hard core configuration.

36 MATERIALS SCIENCE↗
DOE OSTI2011

A Two-Phase Intergrowth in Genthelvite from Mont Saint-Hilaire, Quebec

Synchrotron high-resolution powder X-ray-diffraction (HRPXRD) data and Rietveld structure refinement were used to examine a two-phase intergrowth of genthelvite, ideally Zn{sub 8}[Be{sub 6}Si{sub 6}O{sub 24}]S{sub 2}, from the alkaline intrusive complex at Mont Saint-Hilaire, Quebec, where genthelvite occurs in nepheline syenite pegmatites. The structural parameters obtained for the two phases are slightly different from each other. The unit-cell parameters are 8.119190(7) {angstrom} (51% phase 1) and 8.128914(9) {angstrom} (49% phase 2). The refinement gives the chemical formulae and interstitial M cation in terms of Zn and Mn (the Fe content is practically zero) for the Mn-poor genthelvite phase 1 as (Zn{sub 7.8}Mn{sub 0.2}){Sigma}{sub 8}[Be{sub 6}Si{sub 6}O{sub 24}]S{sub 2}, and the Mn-rich genthelvite phase 2 as (Zn{sub 7.0}Mn{sub 1.0}){Sigma}{sub 8}[Be{sub 6}Si{sub 6}O{sub 24}]S{sub 2}. These formulae are comparable to the Mn-poor and Mn-rich phases obtained by electron-microprobe analysis. The intergrowth indicates that diffusion is absent among the interstitial M cations of similar size (Zn{sup 2+}, Fe{sup 2+} and Mn{sup 2+}). Such intergrowths may form under distinct f(O{sub 2}) conditions and probably low temperature of crystallization that inhibits diffusion of M cations.

58 GEOSCIENCES↗
DOE OSTI2012

Enhanced Solar Energy Absorption by Internally-mixed Black Carbon in Snow Grains

Here we explore light absorption by snowpack containing black carbon (BC) particles residing within ice grains. Basic considerations of particle volumes and BC/snow mass concentrations show that there are generally 0:05-109 BC particles for each ice grain. This suggests that internal BC is likely distributed as multiple inclusions within ice grains, and thus the dynamic effective medium approximation (DEMA) (Chylek and Srivastava, 1983) is a more appropriate optical representation for BC/ice composites than coated-sphere or standard mixing approximations. DEMA calculations show that the 460 nm absorption cross-section of BC/ice composites, normalized to the mass of BC, is typically enhanced by factors of 1.8-2.1 relative to interstitial BC. BC effective radius is the dominant cause of variation in this enhancement, compared with ice grain size and BC volume fraction. We apply two atmospheric aerosol models that simulate interstitial and within-hydrometeor BC lifecycles. Although only {approx}2% of the atmospheric BC burden is cloud-borne, 71-83% of the BC deposited to global snow and sea-ice surfaces occurs within hydrometeors. Key processes responsible for within-snow BC deposition are development of hydrophilic coatings on BC, activation of liquid droplets, and subsequent snow formation through riming or ice nucleation by other species and aggregation/accretion of ice particles. Applying deposition fields from these aerosol models in offline snow and sea-ice simulations, we calculate that 32-73% of BC in global surface snow resides within ice grains. This fraction is smaller than the within-hydrometeor deposition fraction because meltwater flux preferentially removes internal BC, while sublimation and freezing within snowpack expose internal BC. Incorporating the DEMA into a global climate model, we simulate increases in BC/snow radiative forcing of 43-86%, relative to scenarios that apply external optical properties to all BC. We show that snow metamorphism driven by diffusive vapor transfer likely proceeds too slowly to alter the mass of internal BC while it is radiatively active, but neglected processes like wind pumping and convection may play much larger roles. These results suggest that a large portion of BC in surface snowpack may reside within ice grains and increase BC/snow radiative forcing, although measurements to evaluate this are lacking. Finally, previous studies of BC/snow forcing that neglected this absorption enhancement are not necessarily biased low, because of application of absorption-enhancing sulfate coatings to hydrophilic BC, neglect of coincident absorption by dust in snow, and implicit treatment of cloud-borne BC resulting in longer-range transport.

14 SOLAR ENERGY↗
DOE OSTI2011

Superconductivity and Properties of FeTeOx Films

Films of the parent compound FeTe can be made superconducting via the addition of interstitial oxygen. The process is reversible. We have characterized the new superconductors with a variety of experiments. X-ray diffraction shows that the superconductor has the same overall structure but a small lattice constant change compared to pure FeTe. X-ray absorption shows that superconducting FeTeO{sub x} has a nominal valence of 3+. DFT calculations show the most likely position for interstitial oxygen and confirm that such oxygen incorporation does not produce a large change in structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The role of atomic structure on grain boundary-defect interactions in Cu

We investigate the role that the atomic structure of grain boundaries in Cu has in the interaction with point defects produced during irradiation. We focus on three aspects of defect-boundary interaction: how defects interact with pristine boundaries, how boundaries modify defect production during collision cascades, and how defects interact with damaged boundaries. We find that there are generic features common to most boundaries, including biased absorption of interstitials over vacancies during collision cascades and strong interactions with vacancies for interstitial-loaded boundaries. However, we find that the magnitude of these behaviors depends strongly on the atomic structure of the boundary. In particular, the biased absorption is much stronger for a high angle twist boundary and smallest for a more general twist-asymmetric tilt boundary. Further, the strength of defect-boundary interactions is also sensitive to the boundary structure. We conclude that the sink strength of grain boundaries for interacting with point defects is not an intrinsic property of the boundary but rather depends on the irradiation condition through the absorbed defect content at the boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Bond angles for O-H defects in SnO2 from polarization properties of their vibrational modes

Infrared absorption experiments along with a mass-and-spring model and detailed quantum-mechanical calculations using CRYSTAL06 are used to assign structures of trapped H in SnO2. We conclude that the evidence for H trapped at a Sn vacancy is weak at best, and that along with isolated interstitial H and H trapped at an O vacancy, there is evidence that one or two H atoms can be trapped at a Sn interstitial.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Gas retention and release from Hanford Site sludge waste tanks - 15491

Radioactive wastes from nuclear fuel processing are stored in large underground storage tanks at the Hanford Site. Solid wastes can be divided into salt-cake (mostly precipitated soluble sodium nitrate and nitrite salts with some interstitial liquid consisting of concentrated salt solutions) and sludge (mostly low solubility aluminum and iron compounds with relatively dilute interstitial liquid). Waste generates hydrogen through the radiolysis of water and organic compounds, radio-thermolytic decomposition of organic compounds, and corrosion of a tank's carbon steel walls. Nonflammable gases, such as nitrous oxide and nitrogen, are also produced. Additional flammable gases (e.g., ammonia and methane) are generated by chemical reactions between various degradation products of organic chemicals present in the tanks. Six double-shell tanks (DSTs) containing salt-cake wastes began showing signs of gas accumulation and buoyant instability in the form of periodic waste level drops in the 1980's. Studies in the 1990's indicated that gas would accumulate in the settled solids layer until its bulk density was lower than the supernatant liquid. The resultant gas release caused by this instability was termed a Buoyant Displacement Gas Release Event (BDGRE). Criteria were developed to prevent forming additional waste tanks that exhibited BDGREs. Significant gas accumulation and BDGREs were never observed in tanks containing predominantly sludge wastes. Literature reviews, data from Hanford Site waste tanks, and experiments with waste simulants have led to new conclusions on gas retention and release in sludge waste. The data show similar overall behavior where initially the settled solids volume increases as gas bubbles form. Gas fraction in the settled solids increases to a peak concentration after which additional generated gas escapes through connected cracks and there is a balance between gas generation and gas release with little change in gas fraction. Experiments showed that this behavior does not change as sludge waste depth increases. Sufficient data now exist to differentiate between gas retention and release behavior in Hanford Site sludge waste tanks and salt-cake waste tanks. The salt-cake criteria do not need to be applied to sludge waste tanks that exhibit certain gas retention and release behavior. Criteria for waste characteristics and process behavior have been defined that identify specific wastes and tanks that, based on previous operating experience, will have low gas retention and will not exhibit large, spontaneous releases. The first criterion defines what waste is considered sludge and what waste is considered salt-cake. If the mass ratio of soluble to insoluble constituents is below 2.5, then the waste is sludge. The second criterion is a density difference criterion that prevents tanks being operated in a region where sludge buoyancy might occur. For large gas releases to occur, the settled solids must accumulate sufficient gas to become less dense than the overlying supernatant (i.e., the settled solids would become buoyant). Based on previous operating experience, the ratio of liquid density to degassed settled solids bulk density (ρl/ρB) should be maintained at ≤ 0.84. This ensures that retained gas content in the sludge would need to exceed 16% by volume for the settled solids to become buoyant in the overlying supernatant. Tank waste that satisfies the mass ratio criterion, the liquid to bulk solids density criterion, and has process data supporting typical Hanford waste sludge behavior does not pose a significant risk for a large spontaneous gas release event. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Characterization of a Polyethylene Moderated Highly Enriched Uranium System

The polyethylene interstitial materials for the Class Foils experiment are one of the teaching tools used to teach criticality safety at the National Criticality Experiments Research Center (NCERC). This set of polyethylene plates is designed to provide the optimal H/{sup 235}U ratio on the critical mass curve allowing the experiment to have the minimum amount of {sup 235}U. This makes a great teaching tool to show that either additional {sup 235}U or additional moderator would increase the critical mass. The optimal H/{sup 235}U ratio and increased hydrogen density compared to the previously used Lucite plates has reduced the critical mass by 34%, to 997.9 ± 0.65 g. The robustness of this experiment makes it ideal for hands on training. The fuel foils consist of thin highly enriched uranium (93 wt% {sup 235}U) metal foils laminated in plastic; each foil weighs approximately 68 grams. The fuel is interleaved between interstitial plates to attain a critical configuration. The critical configuration requires 14.5 fuel foils. Rossi-α experiments have been proposed as a method of benchmarking kinetics properties given by neutronics codes such as MCNP. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2017

Quantification of marine aerosol subgrid variability and its correlation with clouds based on high‐resolution regional modeling

Abstract One limitation of most global climate models (GCMs) is that with the horizontal resolutions they typically employ, they cannot resolve the subgrid variability (SGV) of clouds and aerosols, adding extra uncertainties to the aerosol radiative forcing estimation. To inform the development of an aerosol subgrid variability parameterization, here we analyze the aerosol SGV over the southern Pacific Ocean simulated by the high‐resolution Weather Research and Forecasting model coupled to Chemistry. We find that within a typical GCM grid, the aerosol mass subgrid standard deviation is 15% of the grid‐box mean mass near the surface on a 1 month mean basis. The fraction can increase to 50% in the free troposphere. The relationships between the sea‐salt mass concentration, meteorological variables, and sea‐salt emission rate are investigated in both the clear and cloudy portion. Under clear‐sky conditions, marine aerosol subgrid standard deviation is highly correlated with the standard deviations of vertical velocity, cloud water mixing ratio, and sea‐salt emission rates near the surface. It is also strongly connected to the grid box mean aerosol in the free troposphere (between 2 km and 4 km). In the cloudy area, interstitial sea‐salt aerosol mass concentrations are smaller, but higher correlation is found between the subgrid standard deviations of aerosol mass and vertical velocity. Additionally, we find that decreasing the model grid resolution can reduce the marine aerosol SGV but strengthen the correlations between the aerosol SGV and the total water mixing ratio (sum of water vapor, cloud liquid, and cloud ice mixing ratios).

Lin, Guangxing↗
DOE OSTI2019

Ultrastiff, Strong, and Highly Thermally Conductive Crystalline Graphitic Films with Mixed Stacking Order

A macroscopic film (2.5 cm × 2.5 cm) made by layer-by-layer assembly of 100 single-layer polycrystalline graphene films is reported. The graphene layers are transferred and stacked one by one using a wet process that leads to layer defects and interstitial contamination. Heat-treatment of the sample up to 2800 °C results in the removal of interstitial contaminants and the healing of graphene layer defects. The resulting stacked graphene sample is a freestanding film with near-perfect in-plane crystallinity but a mixed stacking order through the thickness, which separates it from all existing carbon materials. Macroscale tensile tests yields maximum values of 62 GPa for the Young's modulus and 0.70 GPa for the fracture strength, significantly higher than has been reported for any other macroscale carbon films; microscale tensile tests yield maximum values of 290 GPa for the Young's modulus and 5.8 GPa for the fracture strength. The measured in-plane thermal conductivity is exceptionally high, 2292 ± 159 W m -1 K -1 while in-plane electrical conductivity is 2.2 × 10 5 S m -1 . Finally, the high performance of these films is attributed to the combination of the high in-plane crystalline order and unique stacking configuration through the thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Identification and Suppression of Point Defects in Bromide Perovskite Single Crystals Enabling Gamma‐Ray Spectroscopy

Abstract Methylammonium lead tribromide (MAPbBr 3 ) stands out as the most easily grown wide‐band‐gap metal halide perovskite. It is a promising semiconductor for room‐temperature gamma‐ray ( γ ‐ray) spectroscopic detectors, but no operational devices are realized. This can be largely attributed to a lack of understanding of point defects and their influence on detector performance. Here, through a combination of crystal growth design and defect characterization, including positron annihilation and impedance spectroscopy, the presence of specific point defects are identified and correlated to detector performance. Methylammonium (MA) vacancies, MA interstitials, and Pb vacancies are identified as the dominant charge‐trapping defects in MAPbBr 3 crystals, while Br vacancies caused doping. The addition of excess MABr reduces the MA and Br defects and so enables the detection of energy‐resolved γ ‐ray spectra using a MAPbBr 3 single‐crystal device. Interestingly, the addition of formamidinium (FA) cations, which converted to methylformamidinium (MFA) cations by reaction with MA + during crystal growth further reduced MA defects. This enabled an energy resolution of 3.9% for the 662 keV 137 Cs line using a low bias of 100 V. The work provides direction toward enabling further improvements in wide‐bandgap perovskite‐based device performance by reducing detrimental defects.

Ni, Zhenyi↗
DOE OSTI2025

Electronic Excitation‐Driven β‐Ga 2 O 3 Metastability Transformation and Self‐Organization Mechanism: β→κ/γ/δ Phases

Here, irradiation-driven multiphase self-organization presents emergent opportunities for the customization of nanoscale engineering properties, dynamically tuning strain-field distributions and interfacial electronic structures. Responding to intense electronic excitation-induced energy deposition, the dominant phase transformations, with varying Gibbs free energy $Δ,G^o_f$ are confirmed as β → κ → γ → δ that are located in specific microregions for Gallium (III) oxide (Ga 2 O 3 ), as follows: (i) Surface-localized interstitial accumulation under compressive stress triggers β → δ via semi-coherent interface formation. (ii) Tensile stress within latent tracks drives vacancy-mediated oxygen layer truncation (4/12 periodicity along ⟨0001⟩), stabilizing coherent 4H (ABCB) κ and 3C (ABC) β (ABC) interfaces through strain-compensated octahedral distortion. (iii) Screw dislocation-mediated lattice relaxation induces β → γ via cation disordering (Ga 3+ occupancy at β-interstitial sites), forming metastable spinel γ with mixed occupancy across 16d/8a Wyckoff sites. Irradiation-driven β-Ga 2 O 3 →κ/γ/δ transitions, as mechanistically revealed via inelastic thermal spike (i-TS) calculations and molecular dynamics simulations, induce defect-mediated nonlinear photoresponse, critical for optoelectronic engineering.

Han, Xinqing [Shandong Univ., Jinan (China)]↗
DOE OSTI2022

Induced Ferromagnetism in Epitaxial Uranium Dioxide Thin Films

Abstract Actinide materials have various applications that range from nuclear energy to quantum computing. Most current efforts have focused on bulk actinide materials. Tuning functional properties by using strain engineering in epitaxial thin films is largely lacking. Using uranium dioxide (UO 2 ) as a model system, in this work, the authors explore strain engineering in actinide epitaxial thin films and investigate the origin of induced ferromagnetism in an antiferromagnet UO 2 . It is found that UO 2+ x thin films are hypostoichiometric ( x <0) with in‐plane tensile strain, while they are hyperstoichiometric ( x >0) with in‐plane compressive strain. Different from strain engineering in non‐actinide oxide thin films, the epitaxial strain in UO 2 is accommodated by point defects such as vacancies and interstitials due to the low formation energy. Both epitaxial strain and strain relaxation induced point defects such as oxygen/uranium vacancies and oxygen/uranium interstitials can distort magnetic structure and result in magnetic moments. This work reveals the correlation among strain, point defects and ferromagnetism in strain engineered UO 2+ x thin films and the results offer new opportunities to understand the influence of coupled order parameters on the emergent properties of many other actinide thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Chemical Synthesis of 3D Graphene-Like Cages for Sodium-Ion Batteries Applications

Sodium (Na) super ion conductor structured Na3V2(PO4)3 (NVP) is extensively explored as cathode material for sodium-ion batteries (SIBs) due to its large interstitial channels for Na+ migration. The synthesis of 3D graphene-like structure coated on NVP nanoflakes arrays via a one-pot, solid-state reaction in molten hydrocarbon is reported. The NVP nanoflakes are uniformly coated by the in situ generated 3D graphene-like layers with the thickness of 3 nm. As a cathode material, graphene covered NVP nanoflakes exhibit excellent electrochemical performances, including close to theoretical reversible capacity (115.2 mA h g-1 at 1 C), superior rate capability (75.9 mA h g-1 at 200 C), and excellent cyclic stability (62.5% of capacity retention over 30000 cycles at 50 C). Furthermore, the 3D graphene-like cages after removing NVP also serve as a good anode material and deliver a specific capacity of 242.5 mA h g-1 at 0.1 A g-1. The full SIB using these two cathode and anode materials delivers a high specific capacity (109.2 mA h g-1 at 0.1 A g-1) and good cycling stability (77.1% capacity retention over 200 cycles at 0.1 A g-1).

Cao, Xinxin↗