batterydata/paper-abstracts huggingface dataset:
Aluminum was studied as a current collector for rechargeable lithium batteries to understand electrochemical and passivation behavior. Electrochemical polarization tests, in situ scratch polarization tests and time-of-flight secondary ion mass spectroscopy (ToF-SIMS) analysis in lithium bis-oxalato borate (LiBOB)-containing alkyl carbonate solution were conducted. The Al foil did not follow the alloy and de-alloy process with the LiBOB salt in electrolyte at 0V vs. Li/Li+ in the cathodic sweep. During the anodic scan to the noble direction, the absence of an oxidation peak up to 3V vs. Li/Li+ indicated that the air-formed oxide layer of Al was not reduced to metal. Oxide-free Al surfaces made by the in situ scratch test during the electrochemical polarization resulted in abrupt alloy formation with Li at 0V vs. Li/Li+, but the newly formed surface formed passive films at higher potential with oxygen, namely, Al–O compound, as confirmed by ToF-SIMS.
Ruthenium–arene complexes bearing N-heterocyclic carbene (NHC) ligands with the generic formula [RuCl2(p-cymene)(NHC)] are efficient catalyst precursors for the cyclopropanation of activated olefins with ethyl diazoacetate, and the cis/trans diastereoselectivity of the reaction markedly depends on the steric bulk of the NHC. The procedure was successfully applied to styrene, α-methylstyrene, and various other styrenic derivatives bearing electron-withdrawing or donating substituents on their aromatic rings. The reaction of unactivated internal or terminal alkenes was more sluggish, and the use of norbornene as a substrate afforded only olefin metathesis. Further investigation of the ring-opening metathesis polymerization of this strained cycloolefin in the presence of trimethylsilyldiazomethane led to high molecular weight polynorbornene whose microstructure was not significantly affected by the choice of the NHC ancillary ligand.
The availability of high performance computers and development of efficient algorithms has led to the emergence of computational materials science as the third branch of materials research complementing the traditional theoretical and experimental approaches. It has created new virtual realities in materials design that are either experimentally not realizable easily or are prohibitively expensive. The possibilities of doing calculations from first principles have led to predictive capabilities that open up new avenues of discovering novel materials with desired properties, understanding material behaviour on the nano- to the macroscopic scale and helping research in new frontiers that could interface between nano-materials and drug design, as well as in understanding biological systems. Here, we describe some significant recent developments related to alloy and steel design as well as the study of matter on the nano-scale — an area that has gained much prominence in current materials research.
Intermetallic FeSb2 and CrSb2 and their nanocomposites (FeSb2/C and Sb/Cr3C2/C) were prepared using solid-state routes, such as heat-treatment and high-energy mechanical milling, in order to enhance the electrochemical properties of Sb. These electrodes were tested as anode materials for rechargeable Li-ion batteries. The reaction mechanism of intermetallic FeSb2 and CrSb2 was investigated using ex situ X-ray diffraction and high resolution transmission electron microscopy. The FeSb2/C and Sb/Cr3C2/C nanocomposite electrodes exhibited greatly enhanced electrochemical behaviors compared to the FeSb2 and CrSb2 electrodes. Additionally, the Sb/Cr3C2/C nanocomposite electrode showed a better electrochemical performance than the FeSb2/C nanocomposite electrode.
With the advancements in power electronic devices, the increasing use of DC loads, DC renewable generation sources and battery storage systems, and no reactive power and frequency stability issues, DC microgrids are increasingly gaining attention in both academia and industry. In this paper, a grid-connected DC microgrid is considered, which consists of a PV system and a Li-ion battery. DC microgrids optimal operation requires battery degradation cost modeling and demand response incentive for active consumers’ participation to be addressed in detail. Therefore, a practical degradation cost model for a Li-ion battery is developed to optimize battery scheduling and achieve its realistic operational cost. Apart from energy price, scheduled islanding responsive demand response incentive is also introduced to encourage customers to shift load during scheduled grid-tie line maintenance. Levelized cost of energy of PV system is calculated for both hot and cold climate regions. Optimal operation of DC microgrid cannot be achieved without considering nodal voltages and system losses. Hence, network constraints are also included in the proposed model. Extensive numerical simulations are carried out to prove the effectiveness of the proposed approach. The achieved results would aid in DC microgrids adoption planning that would expectedly replace traditional AC grids in the future.
Evolved gas analysis (EGA) by mass spectroscopy (MS) was carried out for the pyrolysis of Li1−x Co1/3Ni1/3Mn1/3O2 (185mAhg−1 of charge capacity) and the results were compared with that of Li1−x CoO2 (140mAhg−1). Electrochemically prepared Li1−x Co1/3Ni1/3Mn1/3O2 clearly shows that O2 evolution begins at much higher temperature than Li1−x CoO2, suggesting that Li1−x Co1/3Ni1/3Mn1/3O2 is superior to LiCoO2 with respect to thermal stability. High-temperature XRD measurements of charged LiCo1/3Ni1/3Mn1/3O2-electrodes at 4.45V were also carried out and shown that the decomposition product by heating was identified as a cubic spinel consisting of cobalt, nickel, and manganese. This indicates that phase change from a layered to spinel-framework structure plays a crucial role in the suppression of oxygen evolution from the solid matrix. In order to show practicability of the new material, lithium-ion batteries with graphite-negative electrodes are fabricated and examined in the R18650-hardware. The new lithium-ion batteries show high rate discharge performances, excellent cycle life, and safety together with high-energy density.
A comparative electrochemical study of undoped NiO and Co-doped NiO is performed in order to elucidate the effect of the Co distribution in the crystal lattice of NiO for energy storage applications. Both samples are synthesized using a facile solvothermal strategy and characterized systematically by X-ray diffraction, field-emission scanning electron microscopy, field-emission transmission electron microscopy, X-ray photoelectron spectroscopy and charge/discharge measurements. It is found that doping process does not affect the phase structure of pristine NiO. However, it obviously significantly influences the morphology, suppresses the particles agglomeration and enhances the specific surface area of NiO. More importantly, the substitution of Co for Ni site enhances the p-type conductivity of NiO via the generation of holes. Consequently, the obtained Co-doped NiO anode displays superior Li-battery performance with a large reversible capacity, excellent cyclic performance, and good rate capability in comparison to undoped NiO.
At present, stakeholders wishing to develop land use and management change scenarios at the landscape scale and to assess their corresponding impacts on water quality, biodiversity and economic performance, must examine the output of a suite of separate models. The process is not simple and presents a considerable deterrent to making such comparisons and impedes the development of more sustainable, multifunctional landscapes. To remedy this problem, we developed the Landscapes Toolkit, an integrated modelling framework that assists natural resource managers, policy-makers, planners and local communities explore options for sustainable landscape development. The Landscapes Toolkit links spatially-explicit disciplinary models, to enable integrated assessment of the water quality, biodiversity and economic outcomes of stakeholder-defined land use and management change scenarios. We use the Tully–Murray catchment in the Great Barrier Reef region of Australia as a case study to illustrate the development and application of the Landscapes Toolkit. Results show that the Landscapes Toolkit strikes a satisfactory balance between the inclusion of component models that sufficiently capture the richness of some key aspects of social-ecological system processes and the need for stakeholders to understand and compare the results of the different models. The latter is a prerequisite to making more informed decisions about sustainable landscape development. The flexibility of being able to add additional models and to update existing models is a particular strength of the Landscapes Toolkit design. Hence, the Landscapes Toolkit offers a promising modelling framework for supporting social learning and adaptive management through participatory scenario development and evaluation as well as being a tool to guide planning and policy discussions at the landscape scale.
Sodium metal chloride batteries, also called as ZEBRA batteries, possess many merits such as low cost, high energy density and high safety, but their high operation temperature (270–350 °C) may cause several issues and limit their applications. Therefore, decreasing the operation temperature is of great importance in order to broaden their usage. Using a room temperature ionic liquid (RTIL) catholyte composed of sodium chloride buffered 1-ethyl-3-methylimidazolium chloride–aluminum chloride and a dense β″-aluminates solid electrolyte film with 500 micron thickness, we report an intermediate temperature sodium copper chloride battery which can be operated at only 150 °C, therefore alleviating the corrosion issues, improving the material compatibilities and reducing the operating complexities associated with the conventional ZEBRA batteries. The RTIL presents a high ionic conductivity (0.247 S cm−1) at 150 °C and a wide electrochemical window (−2.6 to 2.18 vs. Al3+/Al). With the discharge plateau at 2.64 V toward sodium and the specific capacity of 285 mAh g−1, this intermediate temperature battery exhibits an energy density (750 mWh g−1) comparable to the conventional ZEBRA batteries (728–785 mWh g−1) and superior to commercialized Li-ion batteries (550–680 mWh g−1), making it very attractive for renewable energy integration and other grid related applications.
Knowledge of a species’ spatial behaviour is essential for understanding its behavioural ecology, as well as a prerequisite to planning of conservation strategies. The Little Owl (Athene noctua) has shown a substantial decline in north-western Europe and is on the road of extinction in Denmark. To quantify relevant aspects of spatial behaviour in the last remaining Danish population, we followed 27 radio-tagged owls representing 14 territories during a period of 2 years. Mated owls were resident at nesting sites year-round with half of all nocturnal locations found within 125 m. Mean nightly distance from roosts peaked in January at 249 m (95% CI = 195–319) and dipped in May to 89 m (66–121). Distance from roosts varied non-linearly with temperature with the longest distances found at 6°C. Home range size varied with more than a tenfold difference between pairs, with pairs with neighbours maintaining 2–3 times larger ranges than isolated pairs independent of habitat composition. Mean home range size of 14 pairs was 41 (95% CI 27–64) and 2.6 ha (1.5–4.5) for 90 and 50% minimum convex polygons, respectively. Males and females behaved similarly, except in the breeding season where females foraged closer to the nest. Mates overlapped completely in activity distributions and were located closer to each other than expected by chance, suggesting a permanent pair-bond. Inter-mate distances were not shorter prior to egg laying compared to the rest of the year, indicating little male investment in mate guarding. No mates left their partner, but widowed birds left their territory within 6–12 months if unable to attract a new mate.
The injection of material into a target specimen in the form of an accelerated ion beam offers a most valuable tool for altering its physical, chemical, structural, surface and interface properties in a controlled manner and tailoring new materials for basic and applied research for science and technology. The present review describes experimental, theoretical and recent aspects of ion beam modifications at various solids, thin films, and multilayered systems covering wider energy ranges including the older basic concepts which are now of interest. These results reveal that the ion–solid interaction physics provides a unique way for controlling the produced defects of the desired type at a desired location. These interests have been stimulated by the possibilities of synthesizing novel materials with potential applications in the field of thin films, surfaces and interface science. Many applications of ion induced engineering are being developed for various sciences of high technological interest for future aspects.
Electrocatalytic activity of a new catalyst toward the oxidation reaction of hydroquinone as a model compound is described. The catalyst was formed by immobilizing metal cations on the topside of a gold-5-amino-2-mercaptobenzimidazole, self-assembled monolayer (Au-5A2MBI-M n+ SAM, M n+: Cu2+, Ag+) electrode. Preparation steps and the electrocatalytic activity of the catalyst were studied by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The EIS data were approximated by appropriate electronic equivalent circuit models from which kinetic parameters, such as charge transfer resistance, double layer capacitance, and apparent rate constant (k app), were estimated. Excellent activity was observed for Au-5A2MBI-Ag+ SAM with the following order: Au-5A2MBI-Ag+ >Au-5A2MBI-Cu2+ >Au-5A2MBI, after testing many modified electrodes. The increased activity originates from a modification of the Au-5A2MBI structure by mediating the effect of Ag+. This behavior was understood from significant increases in the k app without significant changes in the double layer capacitance.
SnSe2 attract enormous attention in sodium-ion batteries since it has a high theoretical specific capacity of 756 mAh g−1. However, the large volume expansion of SnSe2 during Na+ insertion/extraction processes seriously affects the cyclic stability of SnSe2-based electrodes. Herein, 5 nm SnSe2 nanoparticles supported on the graphite nanosheets are synthesized by two-step high-energy ball milling to obtain SnSe2/graphite nanosheet nanocomposite. By virtue of the ultrafine SnSe2 nanoparticles and the porous carbon skeleton constructed by highly conductive graphite nanosheets, the as-obtained SnSe2/graphite nanosheet nanocomposite presents a high specific capacity of 638.6 mAh g−1 at 200 mA g−1, excellent rate capacity of 517.8 mAh g−1 at 5 A g−1, and ultralong cyclic life (252.9 mAh g−1 after 4000 cycles at 2 A g−1), which are superior to the previously reported SnSe2-based composites. Ex-situ X-ray diffraction, Raman mapping, high-resolution transmission electron microscope, and X-ray photoelectron spectroscopy characterizations show that the crystal structure of SnSe2 is reversible during sodium ions insertion/extraction processes and the distribution of SnSe2 nanoparticles on graphite nanosheets remains uniform. Moreover, this nanocomposite can not only be used as a high-performance anode for sodium-ion full cells, but also as an improved electrocatalyst for hydrogen evolution reaction.
A novel hydrothermal method for the preparation of nano MoS2 for hydrodesulfurization (HDS) with MoO3 as a precursor is presented. The redox reaction mechanism is, for the first time, revealed. It is shown to involve the oxidation of S2− to SO42− while hexavalent Mo is reduced to quadrivalent Mo to form MoS2. The HS− group is identified to play a key role in the reduction of MoO3. The interaction between Na2S and the HS− group and the yield of the resulting MoS2 are controlled via the pH of the synthesis solution. Various characterization methods, e.g. XRD, TEM, SEM, BET, TPR, XPS, XANES, EXAFS, etc., are employed for the characterization of the synthesized MoS2. The results show that high purity MoS2 is obtained. The ratio of precursors, MoO3 and Na2S, influences the crystal structure and catalytic activity. A slightly less amount of sulfur than the stoichiometric ratio of S/Mo produces defect sites, which promote catalyst activities in the hydrodesulfurization of real light cycle oil (LCO).
Layered Li(Ni0.5−x Mn0.5−x M2x ′)O2 materials (M′=Co, Al, Ti; x=0, 0.025) were synthesized using a manganese-nickel hydroxide precursor, and the effect of dopants on the electrochemical properties was investigated. Li(Ni0.5Mn0.5)O2 exhibited a discharge capacity of 120mAh/g in the voltage range of 2.8–4.3V with a slight capacity fade up to 40 cycles (0.09% per cycle); by doping of 5mol% Co, Al, and Ti, the discharge capacities increased to 140, 142, and 132mAh/g, respectively, and almost no capacity fading was observed. The cathode material containing 5mol% Co had the lowest impedance, 47Ωcm2, while undoped, Ti-doped, and Al-doped materials had impedance of 64, 62, and 99Ωcm2, respectively. Unlike the other dopants, cobalt was found to improve the electronic conductivity of the material. Further improvement in the impedance of these materials is needed to meet the requirement for powering hybrid electric vehicle (HEV, <35Ωcm2). In all materials, structural transformation from a layered to a spinel structure was not observed during electrochemical cycling. Cyclic voltammetry and X-ray photoelectron spectroscopy (XPS) data suggested that Ni and Mn exist as Ni2+ and Mn4+ in the layered structure. Differential scanning calorimetry (DSC) data showed that exothermic peaks of fully charged Li1−y (Ni0.5−x Mn0.5−x M2x ′)O2 appeared at higher temperature (270–290°C) than LiNiO2-based cathode materials, which indicates that the thermal stability of Li(Ni0.5−x Mn0.5−x M2x ′)O2 is better than those of LiNiO2-based cathode materials.
This work investigates the reaction rate of Mn(II) to generate solid manganese dioxide (MnO2) as a function of the gaseous ozone mass flow rate (27.5–77 g h−1). The experimental studies were carried out in a semi-continuous reactor, using a synthetic solution (300 mL of 1 M H2SO4 with 6000 ppm of Mn(II) added as MnSO4) that simulated the composition of an acid leaching solution from spent alkaline battery material (SBM). It was observed that at 1.3–1.45 V/SHE and pH < 1.0 a selective formation of MnO2 powder was obtained; at values greater than 1.45 V/SHE, permanganate ion (MnO4 1−) was formed. On the other hand, a linear relation was perceived between the volumetric mass transfer coefficient (k L a) and the ozone mass flow rate (19.3–77 g h−1 in 600 mL of the 1 M H2SO4 solution). The rate constant (k) was determined in the presence and absence of nonporous plastic spheres (D = 3 mm). In both cases the rate of Mn(II) conversion increased proportionally with the ozone mass flow rate, although the conversions obtained with non-porous plastic spheres (x = 82%) were always higher than those without non-porous plastic spheres (x = 72%). A pseudo-homogenous mass transfer model adequately approximated the experimental data.
Genotoxicity of indoor air pollution from biomass fuel use has been examined in 132 biomass users (median age 34 years) and 85 age-matched control women from eastern India who used the cleaner fuel liquefied petroleum gas (LPG) to cook. Micronucleus (MN) frequency was evaluated in buccal (BEC) and airway epithelial cells (AEC); DNA damage was examined by comet assay in peripheral blood lymphocytes (PBL); and expressions of γ-H2AX, Mre11 and Ku70 proteins were localized in AEC and PBL by immunocytochemistry. Reactive oxygen species (ROS) generation in leukocytes was measured by flow cytometry, and the levels of superoxide dismutase (SOD) and total antioxidant status (TAS) in blood were measured by spectrophotometry. Real-time aerosol monitor was used to measure particulate pollutants in indoor air. Compared with controls, biomass users had increased frequencies of micronucleated cells in BEC (3.5 vs. 1.7, p <0.001) and AEC (4.54 vs. 1.86, p <0.001), and greater comet tail % DNA (18.6 vs. 11.7%, p <0.01), tail length (45.5 vs. 31.4μm, p <0.01) and olive tail moment (4.0 vs. 1.4, p <0.01) in PBL. Moreover, biomass users had more γ-H2AX-positive nuclei in PBL (49.5 vs. 8.5%, p <0.01) and AEC (11.3 vs. 2.9%, p <0.01) along with higher expression of DNA repair proteins Mre11 and Ku70 in these cells, suggesting stimulation of DNA repair mechanism. Biomass users showed rise in ROS generation and depletion of SOD and TAS. Biomass-using households had 2–4 times more particulate matter with diameter less than 10 and 2.5μm in indoor air, and MN frequency and comet tail % DNA were positively associated with these pollutants after controlling potential confounders. Thus, chronic exposure to biomass smoke causes chromosomal and DNA damage and upregulation of DNA repair mechanism.
Doping front migration is a recently discovered effect occurring in sandwich structures composed of intrinsically conductive polymers. A system based on chemical or electrochemical doping is capable of controlling an integrated display and modifying the electrical resistance of the conductive polymer. The effect does not require a battery and is capable of monitoring time and temperature exposure. Low-cost devices using doping front migration could be the basis of a new class of smart labels for applications such as electronic “best before” labels on food and drink.
Hierarchically porous carbon (HPC) materials with rich oxygen-containing groups at the surface were prepared by a facile one-pot approach using wild jujube pit (WJP) as the biomass precursor. Effect of annealing temperature on the texture and electrochemical properties of the obtained HPC materials was investigated. After the WJP is annealed at 800°C, the resulting HPC sample (WJC-800) contains 6.7% oxygen element and displays an ultra-high specific surface area (2438m2 g−1) and a high pore volume (1.00cm3 g−1). The WJC-800 sample possesses interconnected micro-, meso- and macro-pores, and such a structure is beneficial to enhance its electrochemical properties. In a three-electrode configuration, the WJC-800-derived electrode can deliver a specific capacitance of 398Fg−1 (95.5Fcm−3) at 0.5Ag−1, and retain 345Fg−1 (82.8Fcm−3) (86.7% of that at 0.5Ag−1) even at 20Ag−1. The capacitance retention of the assembled symmetric supercapacitor cell remains 97% and 87% in the 6M KOH and 1M Na2SO4 electrolyte after 10,000 cycles at 5Ag−1, respectively. The symmetric supercapacitor cells using the 1M Na2SO4 electrolyte attains a high energy density of 13.33Whkg−1 at the power density of 16kWkg−1. The results indicate that the WJP can act as a novel and appropriate biomass precursor to prepare the low-cost HPC materials for high-performance supercapacitor.
Somatoparaphrenia consists in abnormal or bizarre verbal reports about some parts of the body. Such a pathological condition usually lasts for days or weeks and is variably associated with other cognitive defects. In the present paper we describe exceptionally long-lasting somatoparaphrenia in two focal brain-damaged patients: GA who had a right hemorrhagic fronto-parieto-temporal stroke and AC who developed a left ischemic parieto-occipital lesion. The presence and severity of somatoparaphrenia did not change in either patient during a 2-year follow-up, whereas the two patients showed different evolution of anosognosia for motor disorders, severity of extrapersonal neglect and cognitive impairments. Moreover, impairment of position sense was associated with somatoparaphrenia in one patient only; neither patient showed personal neglect. The reported clinical observations suggest that somatoparaphrenia can be observed as a body-related chronic disorder and can outlast other cognitive defects, even if it arose in conjunction with them.