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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Facile synthesis of TiO{sub 2} hierarchical tubes with enhanced photocatalytic activity

Graphical abstract: Hierarchical micro/nanostructured tubular TiO{sub 2} were prepared by impregnation-calcination method with FCT (the fluff of the chinar tree) as biological template and titanium tetrachloride as precursor. The resultant TiO{sub 2} samples possess curly tubular structure and the exterior outline of the samples look like fried dough twist. Moreover, the wall of the tube is assembled with spherical-likely nanoparticles. During the bio-inspired synthetic process, the FCT plays important roles as template and inducer for assembling the tubular micro/nanostructure. Furthermore, the resultant TiO{sub 2} exhibits favorable photocatalytic activity and good stability for degrading methyl orange under UV light irradiation. - Highlights: • The fluff of chinar tree was employed as template and inducer for preparing hierarchical micro/nanostructured tubular TiO{sub 2}. • The wall of the micro/nanostructured tubular TiO{sub 2} is assembled with spherical-likely nanoparticles. • The resultant TiO{sub 2} exhibits favorable photocatalytic activity and good recyclability. - Abstract: Hierarchical micro/nanostructured tubular TiO{sub 2} were prepared by impregnation-calcination method with FCT (the fluff of the chinar tree) as biological template and titanium tetrachloride as precursor. The resultant samples possess curly tubular structure and the exterior outline of the samples look like fried dough twist. Moreover, the wall of the tube is assembled with spherical-likely nanoparticles. Apparently in the process of preparation, the FCT played pivotal roles as substrate and inducer for assembling the curly tubular structure of micro/nanostructured TiO{sub 2}. Furthermore, the micro/nanostructured TiO{sub 2} have abundant pore structures and large surface area, which are beneficial to the improvement of photocatalytic activity. Under UV light irradiation, the as-prepared TiO{sub 2} exhibits nearly 100% photocatalytic decolorization rate in 30 min and 90% TOC (total organic carbon) degradation rate in 60 min for dye methyl orange (MO).

36 MATERIALS SCIENCE↗
DOE OSTI2018

An Efficient and Robust Surface-Modified Iron Electrode for Oxygen Evolution in Alkaline Water Electrolysis

Iron is unstable as an oxygen evolution electrode in alkaline media. Thus, relatively expensive nickel-based electrodes are used in industrial alkaline water electrolysis. We show that an iron substrate can be rendered stable and electrocatalytically active for the oxygen evolution reaction by nano-scale surface modification with nickel. The electrocatalytic activity of such a surface-modified iron electrode is comparable to the recently-reported nickel-based catalysts. The electrocatalytic activity is due to a 50-nanometer layer of a high-surface area a-nickel hydroxide on the iron electrode. The nickel modification renders the iron electrode electrically-conductive, prevents dielectric breakdown, and thus endows anodic stability. The electrocatalytic activity is unchanged even after 1000 hours of continuous operation. The temperature of preparation is critical, as excessive dehydration of the hydroxide layer results in nickel ferrite formation and a drastic reduction in electrocatalytic activity. We report significant insight into the surface chemical composition and structure of the catalyst layer by X-ray Absorption Spectroscopy, Photoelectron Spectroscopy, and Transmission Electron Microscopy. Electrochemical kinetics analysis suggests that surface hydroxo-intermediates react with the hydroxide ions from the solution to evolve oxygen. Furthermore, the surface-modified iron substrates present an opportunity for improving the performance and reducing the cost of alkaline water electrolysis systems. (C) The Author(s) 2018. Published by ECS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Role of Lignin Molecular Weight on Activated Carbon Pore Structure

Over the past decade, the production of biofuels from lignocellulosic biomass has steadily increased to offset the use of fuels from petroleum. To make biofuels cost-competitive, however, it is necessary to add value to the “ligno-” components (up to 30% by mass) of the biomass. The properties of lignin, in terms of molecular weight (MW), chemical functionality, and mineral impurities often vary from biomass source and biorefinery process, resulting in a challenging precursor for product development. Activated carbon (AC) is a feasible target for the lignin-rich byproduct streams because it can be made from nearly any biomass, and it has a market capacity large enough to use much of the lignin generated from the biorefineries. However, it is not known how the variability in the lignin affects the key properties of AC, because, until now, they could not be well controlled. In this work, various fractions of ultraclean (<0.6% ash) lignin are created with refined MW distributions using Aqueous Lignin Purification using Hot Agents (ALPHA) and used as precursors for AC. AC is synthesized via zinc chloride activation and characterized for pore structure and adsorption capacity. We show that AC surface area and the adsorption capacity increase when using lignin with increasing MW, and, furthermore, that reducing the mineral content of lignin can significantly enhance the AC properties. The surface area of the AC from the highest MW lignin can reach ~1830 m2/g (absorption capacity). Furthermore, single step activation carbonization using zinc chloride allows for minimal carbon burn off (<30%), capturing most of the lignin carbon compared to traditional burn off methods in biorefineries for heat generation.

Biochemistry & Molecular Biology↗
DOE OSTI2025

Decoupling size and surface effects of intermetallic CuPd nanocrystals for electrocatalytic nitrate reduction to ammonia

Nitrate pollution poses a major environmental challenge, but its electrochemical conversion to ammonia offers a sustainable waste-to-value solution. Here, in this study, we synthesized monodisperse, size-tunable B2-phase CuPd intermetallic nanocrystals (6–46 nm) and studied their performance in the electrochemical nitrate reduction reaction (eNO 3 RR). By using bromide ions to modulate Pd reduction and applying mild annealing, we achieved phase-pure B2 structures across all sizes. Catalytic testing revealed a volcano-like trend in ammonia yield, peaking at 33 nm nanocubes with a rate of 6.97 mol h −1 g −1 at −0.6 V vs. reversible hydrogen electrode (RHE). This optimum reflects a balance between the increased surface area of smaller particles and the enhanced exposure of active (100) facets in larger ones. Theoretical calculations indicated that the B2-CuPd (100) facet is favorable for nitrate adsorption, thereby supporting the high activity of nanocubes. Our results highlight the critical role of tuning both nanoparticle size and surface structure to maximize eNO 3 RR efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Radiological Dose Calculations And Supplemental Dose Assessment Data For Neshap Compliance For SNL Nevada Facilities 1996.

Operations of Sandia National Laboratories, Nevada (SNL/NV) at the Tonopah Test Range (TTR) resulted in no planned point radiological releases during 1996. Other releases from SNL/NV included diffuse transuranic sources consisting of the three Clean Slate sites. Air emissions from these sources result from wind resuspension of near-surface transuranic contaminated soil particulates. The total area of contamination has been estimated to exceed 20 million square meters. Soil contamination was documented in an aerial survey program in 1977 (EG&G 1979). Surface contamination levels were generally found to be below 400 pCi/g of combined plutonium-238, plutonium-239, plutonium-240, and americium-241 (i.e., transuranic) activity. Hot spot areas contain up to 43,000 pCi/g of transuranic activity. Recent measurements confirm the presence of significant levels of transuranic activity in the surface soil. An annual diffuse source term of 0.39 Ci of transuranic material was calculated for the cumulative release from all three Clean Slate sites. A maximally exposed individual dose of 1.1 mrem/yr at the TTR airport area was estimated based on the 1996 diffuse source release amounts and site-specific meteorological data. A population dose of 0.86 person-rem/yr was calculated for the local residents. Both dose values were attributable to inhalation of transuranic contaminated dust.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Mesoporous Textured Fe-N-C Electrocatalysts as Highly Efficient Cathodes for Proton Exchange Membrane Fuel Cells

A new platinum group metal (PGM)-free proton exchange membrane fuel cell (PEMFC) cathode catalyst materials, synthesized using the VariPore™ method by Pajarito Powder, LLC, are characterized for their structure and activity. The physico-chemical analysis of the iron-nitrogen-carbon (Fe-N-C) electrocatalysts show mesoporous carbon material effectively doped with iron and nitrogen. The materials have an average pore size of 7-8 nm and high specific surface area. The Fe-N-C catalysts exhibit good oxygen reduction reaction (ORR) activity in 0.5 M H2SO4 electrolyte with high half-wave potential and sustainable electrochemical stability over 10,000 repeated potential cycles with insignificant losses in their activities. As cathode catalysts in a PEMFC, the Fe-N-C materials deliver remarkably good fuel cell performance at low overpotential approaching that of the commercial Pt catalyst. The high ORR electrocatalytic activity of these Fe-N-C catalysts is credited to the synergy between nitrogen-moieties, specifically pyrrolic-N, pyridinic-N, and graphitic-N, and iron in addition to the high mesoporosity that facilitate an effective reaction path in boosting the electrocatalytic activity and stability.

DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Trends in Hydrogen Evolution Activity of Metal-Modified Molybdenum Carbides in Alkaline and Acid Electrolytes

Relatively high surface area nanocrystalline molybdenum carbide (Mo 2 C) was modified with 5 w% silver, copper, nickel, platinum, and palladium nanoparticles and subsequently assessed for its hydrogen evolution reaction (HER) activity in alkaline and acid electrolytes. Density functional theory (DFT)-calculated hydrogen binding energies predicted that Pt–Mo 2 C and Pd–Mo 2 C should be most active, which was confirmed with experimental results. Similar activity trends were observed at both high and low pH values, with Cu–Mo 2 C being the least active. X-ray photoelectron spectroscopy (XPS) confirmed that metal particles remained on the sample before and after HER testing. Pt-modified nanocrystalline Mo 2 C showed superior HER activity compared with Pt-modified commercial Mo 2 C, making it a potential replacement for bulk Pt in alkaline membrane electrolyzers. Further, the positive effect on the HER activity of the metal contact with non-passivated Mo 2 C surfaces was also demonstrated.

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

Assessing the influence of processing parameters and external loading on the nanoporous structure and morphology of nanoporous gold toward catalytic applications

Nanoporous gold structure gains several unique physical and chemical properties from its nanoscale foam structure composed of ligaments and connected pores. The high specific surface area and interconnected pores make its structure ideal for gas catalysis. Catalytic activity arises in part from the high number density of surface steps and kinks at points of high curvature in the nanoporous structure. However, the structure also makes the material macroscopically brittle and unreliable for many applications due to poor mechanical stability. The ligament diameter, which regulates both desirable chemical properties and mechanical instability, can be tuned to over three orders of magnitude, but few morphology features can be adjusted independently of this. In this report we fabricate nanoporous gold with an average ligament diameter of around 10 nm while varying synthesis parameters and quantify the resulting morphology in order to evaluate the effect of processing on the resulting nanoscale foam structure. In situ tensile experiments are performed to observe how both individual ligaments and the foam structure's features change during deformation in real-time. We found two new morphology features that are independently controllable through synthesis parameters and are likely to influence mechanical stability while preserving or enhancing catalytic activity. The curvature of the ligaments can be increased by stirring the electrolyte during dealloying and the width of the ligament diameter size distribution can be adjusted by controlling the coarsening rate. In situ mechanical tests show that grain boundaries can influence crack propagation and that ligaments removed from the crack tip experience both elastic and plastic stress.

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

Facile preparation of nitrogen-doped porous carbon from waste tobacco by a simple pre-treatment process and their application in electrochemical capacitor and CO{sub 2} capture

Highlights: • A pre-treatment process is used to prepared N-doped carbon from waste biomass. • Waste tobaccos, which are limited for the disposal, are used as the raw materials. • The product shows a specific surface area and nitrogen content. • Its electrochemical performance is better than commercial activated carbon. • Its CO{sub 2} sorption performance is also better than commercial activated carbon. - Abstract: Preparing nitrogen-doped porous carbons directly from waste biomass has received considerable interest for the purpose of realizing the atomic economy. In this study, N-doped porous carbons have been successfully prepared from waste tobaccos (WT) by a simple pre-treatment process. The sample calcinated at 700 °C (WT-700) shows a micro/meso-porous structures with a BET surface area of 1104 m{sup 2} g{sup −1} and a nitrogen content of ca. 19.08 wt.% (EDS). Performance studies demonstrate that WT-700 displays 170 F g{sup −1} electrocapacitivity at a current density of 0.5 A g{sup −1} (in 6 M KOH), and a CO{sub 2} capacity of 3.6 mmol g{sup −1} at 0 °C and 1 bar, and a selectivity of ca. 32 for CO{sub 2} over N{sub 2} at 25 °C. Our studies indicate that it is feasible to prepare N-enriched porous carbons from waste natural crops by a pre-treatment process for potential industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Gas adsorption properties of ZSM-5 zeolites heated to extreme temperatures

Zeolites are broadly useful catalysts and molecular sieve adsorbents for purification. In this paper the thermal degradations of bare and platinum-loaded ZSM-5 was studied with the goal of understanding the behavior of nanoporous solids at extreme temperatures comparable to those present in nuclear fuels. Zeolites were heated in air and nitrogen at temperatures up to 1500 °C, and then characterized for thermal stability via X-ray diffraction (XRD) and for gas adsorption by the Brunauer-Emmett-Teller (BET) method. Scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) were also employed. These results indicate zeolites are stable when heat-treated up to 800 °C and degrade slowly at higher temperatures. However, significant surface area degradation begins at 1025–1150 °C with an activation energy of 400 kJ/mole. At 1500 °C, gas adsorption measurements and SEM images show complete collapse of the porous structure. Finally, critically for nuclear fuel applications, however, the zeolites still adsorb helium in significant quantities.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Simulated high-latitude soil thermal dynamics during the past 4 decades

Soil temperature ( T s ) change is a key indicator of the dynamics of permafrost. On seasonal and interannual timescales, the variability of T s determines the active-layer depth, which regulates hydrological soil properties and biogeochemical processes. On the multi-decadal scale, increasing T s not only drives permafrost thaw/retreat but can also trigger and accelerate the decomposition of soil organic carbon. The magnitude of permafrost carbon feedbacks is thus closely linked to the rate of change of soil thermal regimes. In this study, we used nine process-based ecosystem models with permafrost processes, all forced by different observation-based climate forcing during the period 1960–2000, to characterize the warming rate of T s in permafrost regions. There is a large spread of T s trends at 20 cm depth across the models, with trend values ranging from 0.010 ± 0.003 to 0.031 ± 0.005 °C yr -1 . Most models show smaller increase in T s with increasing depth. Air temperature ( T sub>a ) and longwave downward radiation (LWDR) are the main drivers of T s trends, but their relative contributions differ amongst the models. Different trends of LWDR used in the forcing of models can explain 61 % of their differences in T s trends, while trends of T a only explain 5 % of the differences in T s trends. Uncertain climate forcing contributes a larger uncertainty in T s trends (0.021 ± 0.008 °C yr -1 , mean ± standard deviation) than the uncertainty of model structure (0.012 ± 0.001 °C yr -1 ), diagnosed from the range of response between different models, normalized to the same forcing. In addition, the loss rate of near-surface permafrost area, defined as total area where the maximum seasonal active-layer thickness (ALT) is less than 3 m loss rate, is found to be significantly correlated with the magnitude of the trends of T s at 1 m depth across the models ( R = -0.85, P = 0.003), but not with the initial total near-surface permafrost area ( R = -0.30, P = 0.438). The sensitivity of the total boreal near-surface permafrost area to T s at 1 m is estimated to be of -2.80 ± 0.67 million km 2 °C -1 . Finally, by using two long-term LWDR data sets and relationships between trends of LWDR and T s across models, we infer an observation-constrained total boreal near-surface permafrost area decrease comprising between 39 ± 14 × 10 3 and 75 ± 14 × 10 3 km 2 yr -1 from 1960 to 2000. This corresponds to 9–18 % degradation of the current permafrost area.

58 GEOSCIENCES↗
DOE OSTI2021

Design Study for Bio-Oil Production from Biomass Using a Dual Fluidized-Bed Reactor

To evaluate the re-design and reconfiguration of a dual-fluidized bed (DFB) gasification system into a recirculating pyrolysis reactor, Computation Fluid Dynamic (CFD) simulations of the system were conducted. The Barracuda Virtual Reactor® computational particle fluid dynamic code was used to perform simulations of the pyrolysis process. Modeling of the chemical reaction kinetics for both gas phase and solid particle phase were included. The recirculating pyrolysis reactor shown in Fig. 1a is based on a bubbling-bed biomass pyrolyzer and a riser combustor to convert the remaining char. The operational differences in the re-configuration of the DFB gasification system into a recirculating pyrolysis system for the production of bio-oil are (1) replacement of a low-surface area inert bed material with a high-surface-area bed material that has acidic properties to provide catalytic activity for the production of bio-oil with reduced oxygen content, (2) lower temperature and residence time for bio-oil production from pyrolysis, (3) replacement of the fluidization gas in the bubbling bed pyrolyzer from steam to nitrogen, and (4) the reduction of pyrolyzer freeboard volume. The bed material used for catalytic pyrolysis is Sasol 300 (300-micron dia., bulk density 0.94 kg/l, and surface area 130 m2/g) and is a theta-alumina with mild acidity. This is in comparison with previous standard bed material Carbo HSP (430-micron dia., bulk density 2.01 kg/l, and surface area 0.03 m2/g) used for gasification. For bio-oil production, pyrolysis in the bubbling bed requires temperatures in the range of 550 C in comparison with gasification temperatures near 850 C. To attain this lower temperature requires management of the energy mass balances, with control of the bed material recirculation rate between bubbling bed pyrolyzer and riser combustor, the introduction of a nitrogen purge in the pyrolyzer, and adjusting the pressure balance between the two vessels. To extract bio-oil from the pyrolysis reactor with a snorkel, two different freeboard configurations were evaluated. In Fig. 1 b the existing high freeboard configuration is shown and in Fig. 1 c the reduced freeboard design is presented. The introduction of a nitrogen purge for the high free board configuration provided the highest bio-oil production from the CFD simulations. To decrease the bed-material circulation rate, primary and secondary air on the combustor side were reduced, and the pressure on the combustor was slightly increased. A portion of the biomass and bio-oil was observed to be transported to the combustor, leading to a smaller pyrolysis yield. The control of the pyrolyzer temperature is performed by controlling the circulation rate. Good fluidization of the bubbling bed and cascade PID control are required to keep the temperature from oscillating due to large time delay experienced when changing primary and secondary air. (a) (b) (c) Figure 1. (a) Dual Fluidized Bed pyrolysis system configuration, (b) mole fraction of nonpolar biooil in high freeboard configuration, and (c) mole fraction of nonpolar bio-oil in low freeboard configuration with nitrogen purge introduced in both configurations.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗
NASA NTRS1991

Water resources and hydrology of Mars

The surface of Mars has been extensively modified by a large variety of water erosional and depositional processes. Although liquid water is presently unstable on the planet's surface, in its cold, hyperarid climate, there is abundant geomorphological evidence of past fluvial valley development multiple episodes of catastrophic flooding, periglacial landforms, ice-related permafrost, lake deposits, eroded impact craters and possible glacial landforms throughout much of Mars' geological history. The amount of water required to form such features is estimated to be equivalent to a planet-wide layer approximately 50 meters deep. Some of this water undoubtedly was removed from the planet by atmospheric escape processes, but much probably remains in the subsurface of Mars. Jakosky summarized the present partitioning of water on Mars, expressed as an average global depth, as follows: in the polar caps, 30 meters; in the megaregolith, 500 to 1000 meters; structurally bound in clays, 10 meters; and in high latitude regolith, a few meters. However, most of this water is probably in the form of ice, except in anomalous areas of possible near surface liquid water, and in regions where hydrothermal systems are still active. The best locations for prospecting are those areas where water or ice is sufficiently concentrated at shallow enough depths to make it feasible to pump out or mine.

Baker, V. R.↗
DOE OSTI2016

Directed surfaces structures and interfaces for enhanced electrocatalyst activity, selectivity, and stability for energy conversion reactions

In this project, we have employed a systematic approach to develop active, selective, and stable catalyst materials for important electrochemical reactions involving energy conversion. In particular, we have focused our attention on developing active catalyst materials for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). HER: We have synthesized and investigated several highly active and acid stable non-precious metal HER catalysts, including: [Mo 3 S 13 ] 2- nanoclusters (Nature Chemistry, 2014) and molybdenum phosphosulfide (MoP|S) (Angewandte Chemie, 2014). We have also aimed to engineer these catalyst formulations in a membrane electrode assembly (MEA) for fundamental studies of water electrolysis at high current densities, approximately 1 A/cm 2 (ChemSusChem, 2015). We furthermore investigated transition metal phosphide (TMP) catalysts for HER by a combined experimental–theoretical approach (Energy & Environmental Science, 2015). By synthesizing different TMPs and comparing experimentally determined HER activities with the hydrogen adsorption free energies, ΔG H , calculated by density functional theory, we showed that the TMPs follow a volcano relationship for the HER. Using our combined experimental–theoretical model, we predicted that the mixed metal TMP, Fe 0.5 Co 0.5 P, should have a near-optimal ΔG H . We synthesized several mixtures of Co and Fe phosphides alloys and confirmed that Fe 0.5 Co 0.5 P exhibits the highest HER activity of the investigated TMPs (Energy & Environmental Science, 2015). The understanding gained as to how to improve catalytic activity for the HER, particularly for non-precious metal materials, is important to DOE targets for sustainable H 2 production. OER: We have developed a SrIrO 3 /IrO x catalyst for acidic conditions (submitted, 2016). The SrIrO 3 /IrO x catalyst significantly outperforms rutile IrO 2 and RuO 2 , the only other OER catalysts to have reasonable stability and activity in acidic electrolyte, and in fact demonstrates the best activity for any known OER catalyst measured in either acidic or in alkaline electrolyte. For alkaline conditions we have demonstrated that the combined effect of cerium as a dopant and gold as a metal support, significantly enhances the OER activity of electrodeposited NiO x films. This NiCeO x -Au catalyst delivers high OER activity in alkaline media, and is among the most active OER electrocatalysts reported to date (Nature Energy, accepted 2016). These studies of new catalysts for the OER, both in acid and in base, are fundamental to enabling new technologies of interest for the DOE, including the production of sustainable fuels and chemicals. ORR: One method to significantly reduce the Pt loading in fuel cell devices is to increase the ORR activity of Pt based systems. To this end we have synthesized a high surface area supported meso-structured Pt x Ni alloy thin film with a double gyroid morphology that both exhibits high activity and stability for the ORR (submitted, 2016). We have furthermore developed a Ru-core, Pt-shell system that improves the per Pt site activity by more than a factor of 2 (ChemElectroChem, 2014). Further refinement, optimizing Pt-shell thickness and reducing particle sintering during processing, enabled us to obtain a mass activity that is 2 times higher than commercial Pt/C from TKK. These are important contributions to the DOE goal of reducing Pt loading since an improved understanding of how to increase mass activity and stability helps enable low Pt content fuel cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Influence of gadolinium doping on structural, optical, and electronic properties of polymeric graphitic carbon nitride

Polymeric graphitic carbon nitride (gCN) materials have received great attention in the fields of photo and electrocatalysis due to their distinct properties in metal-free systems with high physicochemical stability. Nevertheless, the activity of undoped gCN is limited due to its relatively low specific surface area, low conductivity, and poor dispersibility. Doping Gd atoms in a gCN matrix is an efficient strategy to fine-tune its catalytic activity and its electronic structure. Herein, the influence of various wt% of gadolinium (Gd) doped in melon-type carbon nitride was systematically investigated. Gadolinium-doped graphitic carbon nitride (GdgCN) was synthesized by adding gadolinium nitrate to dicyandiamide during polymerization. The X-ray diffraction (XRD) and transmission electron microscopy (TEM) results revealed that the crystallinity and the morphological properties are influenced by the % of Gd doping. Furthermore, X-ray photoelectron spectroscopy (XPS) studies revealed that the gadolinium ions bonded with nitrogen atoms. Complementary density functional theory (DFT) calculations illustrate possible bonding configurations of Gd ions both in bulk material and on ultrathin melon layers and provide evidence for the corresponding bandgap modifications induced by gadolinium doping.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Real-time Urban Population Monitoring Using Pervasive Sensor Network

It is estimated that 50% of the global population lives in urban areas occupying just 0.4% of the Earth’s surface. Understanding urban activity constitutes monitoring population density and its changes over time, in urban environments. Currently, there are limited mechanisms to non-intrusively monitor population density in real-time. The pervasive use of cellular phones in urban areas is one such mechanism that provides a unique opportunity to study population density by monitoring the mobility patterns in near real-time. Cellular carriers such as AT&T harvest such data through their cell towers; however, this data is proprietary and the carriers restrict access, due to privacy concerns. In this work, we propose a system that passively senses the population density and infers mobility patterns in an urban area by monitoring power spectral density in cellular frequency bands using periodic beacons from each cellphone without knowing who and where they are located. A wireless sensor network platform is being developed to perform spectral monitoring along with environmental measurements. Algorithms are developed to generate real-time population density and mobility estimates. Data generated using this system is demonstrated for driving modeling and simulation for optimized transportation and aid in generating new understanding of urban infrastructure domains.

Killough, Stephen M.↗
DOE OSTI2016

1D Co- and N-Doped Hierarchically Porous Carbon Nanotubes Derived from Bimetallic Metal Organic Framework for Efficient Oxygen and Tri-iodide Reduction Reactions

Hierarchically porous Co- and N-doped carbon nanotubes are designed as highly efficient electrocatalysts for both oxygen and tri-iodide reduction reactions via a dual-template synthesis approach. Bimetallic Zn/Co-based-zeolitic imidazolate frameworks coated on tellurium nanotubes are pyrolyzed, generating a structure with high surface area, hierarchical pore structure, abundant Co–N x active sites, and a 1D tubular graphitic carbon framework.

36 MATERIALS SCIENCE↗
DOE OSTI2021

1-D NiO nanorods pillared 2-D MnO 2 nanosheets as lithium-free cathode materials for charged-state lithium batteries

Theoretically monolayer MnO 2 sheets have an impressive high capacity of 616 mAh/g, but practically monolayer MnO 2 sheets have poor performances due partially to monolayer restacking. In this paper, we report the preparation of three-dimensional porous NiO nanorod pillared δ-MnO 2 nanosheets as integrated nanoarchitectures as lithium-free cathode materials. The as-synthesized NiO pillared δ-MnO 2 nanosheets have resulted in a moderately high specific capacity of 185 mA h g –1 , with more than 63% capacity retention after 200 cycles. In comparison, 2D MnO 2 nanosheets without NiO pillared structures only achieved a low initial capacity of 137 mA h g –1 , with just 17% capacity retention after 200 cycles. The dramatically improved electrochemical performances could be attributed to high surface areas with excellent porosity which provides more electrochemically active sites and thermodynamically favorable insertion pathways for the lithium ions. Furthermore, our results reveal that insertion of pillars is a promising strategy to explore in order to mitigate the restacking issues and achieve electrochemical performances close to theoretical values for monolayer MnO 2 .

25 ENERGY STORAGE↗