batterydata/paper-abstracts huggingface dataset:
Meeting time-varying peak demand poses a key challenge to the U.S. electricity system. Building-based electricity storage – to enable demand response (DR) without curtailing actual appliance usage – offers potential benefits of lower electricity production cost, higher grid reliability, and more flexibility to integrate renewables. DR tariffs are currently available in the U.S. but building-based storage is still underutilized due to insufficiently understood cost-effectiveness and dispatch strategies. Whether DR schemes can yield a profit for building operators (i.e., reduction in electricity bill that exceeds levelized storage cost) and which particular storage technology yields the highest profit is yet to be answered. This study aims to evaluate the economics of providing peak shaving DR under a realistic tariff (Con Edison, New York), using a range of storage technologies (conventional and advanced batteries, flywheel, magnetic storage, pumped hydro, compressed air, and capacitors). An agent-based stochastic model is used to randomly generate appliance-level demand profiles for an average U.S. household. We first introduce a levelized storage cost model which is based on a total-energy-throughput lifetime. We then develop a storage dispatch strategy which optimizes the storage capacity and the demand limit on the grid. We find that (i) several storage technologies provide profitable DR; (ii) annual profit from such DR can range from 1% to 39% of the household’s non-DR electricity bill; (iii) allowing occasional breaches of the intended demand limit increases profit; and (iv) a dispatch strategy that accounts for demand variations across seasons increases profit further. We expect that a more advanced dispatch strategy with embedded weather forecasting capability could yield even higher profit.
This is part II of an in silico investigation of chemical-induced eye injury that was conducted at FDA’s CFSAN. Serious eye damage caused by chemical (eye corrosion) is assessed using the rabbit Draize test, and this endpoint is an essential part of hazard identification and labeling of industrial and consumer products to ensure occupational and consumer safety. There is an urgent need to develop an alternative to the Draize test because EU’s 7th amendment to the Cosmetic Directive (EC, 2003; 76/768/EEC) and recast Regulation now bans animal testing on all cosmetic product ingredients and EU’s REACH Program limits animal testing for chemicals in commerce. Although in silico methods have been reported for eye irritation (reversible damage), QSARs specific for eye corrosion (irreversible damage) have not been published. This report describes the development of 21 ANN c-QSAR models (QSAR-21) for assessing eye corrosion potential of chemicals using a large and diverse CFSAN data set of 504 chemicals, ADMET Predictor’s three sensitivity analyses and ANNE classification functionalities with 20% test set selection from seven different methods. QSAR-21 models were internally and externally validated and exhibited high predictive performance: average statistics for the training, verification, and external test sets of these models were 96/96/94% sensitivity and 91/91/90% specificity.
In the present paper the electrochemical behavior, as cathodes, of the inverse spinels of general formula LiCo y Ni(1−y)VO4 has been studied in comparison with other mixed oxides, in which V is substituted by Sb (LiCoSbO4) and Ni and Co by Mn (LiMnVO4). The experimental findings showed that the oxides LiCo y Ni(1−y)VO4 are promising cathode materials. The other samples did not show good results: their structures proved to be irreversibly modified in some way by Li-ion deintercalation. This problem, seemingly, cannot be overcome by changing synthesis parameters. The preliminary series of tests, whose results are here reported, served as a first insight in the relations that tie method of preparation, morphology, crystallochemical and intercalation–deintercalation properties together.
Inclusion of an appropriate form of carbon as an additive in the negative active material (NAM) improves the performance of lead–acid batteries in high rate partial state of charge (HRPSoC) cycling. We have used cyclic voltammetry to evaluate the performance of different carbons – carbon black, acetylene black and graphite – in this study and found the technique to be useful in separating the capacitive and the Faradaic contributions to the total charge. It is noted that the presence of carbon at the Pb-interface substantially enhances the electrochemical activity and increases the Faradaic charge, while high surface area carbons add to the capacitive charge. The technique is further used to study combinations of carbons as physical mixtures and bilayers.
A graphene/silicon nanocomposite has been synthesized, characterized and tested as anode active material for lithium-ion batteries. A morphologically stable composite has been obtained by dispersing silicon nanoparticles in graphene oxide, previously functionalized with low-molecular weight polyacrylic acid, in eco-friendly, low-cost solvent such as ethylene glycol. The use of functionalized graphene oxide as substrate for the dispersion avoids the aggregation of silicon particles during the synthesis and decreases the detrimental effect of graphene layers re-stacking. Microwave irradiation of the suspension, inducing reduction of graphene oxide, and the following thermal annealing of the solid powder obtained by filtration, yield a graphene/silicon composite material with optimized morphology and properties. Composite anodes, prepared with high-molecular weight polyacrylic acid as green binder, exhibited high and stable reversible capacity values, of the order of 1000 mAh g−1, when cycled using vinylene carbonate as electrolyte additive. After 100 cycles at a current of 500 mA g−1, the anode showed a discharge capacity retention of about 80%. The mechanism of reversible lithium uptake is described in terms of Li–Si alloying/dealloying reaction. Comparison of the impedance responses of cells tested in electrolytes with or without vinylene carbonate confirms the beneficial effects of the additive in stabilizing the composite anode.
Li[Cr x Li(1/3−x/3)Mn(2/3−2x/3)]O2 materials with x=0.1, 0.15, and 0.2 are prepared by a solution method. The materials are calcined at 900°C for 12h in air, and then quenched to room temperature. The quenching procedure results in material with improved capacity and rate capability. In fact, layered Li1.27Cr0.2Mn0.53O2 not only shows a good cycle performance, but also exhibits an excellent discharge capacity of around 260mAhg−1. Cyclic voltammetry and a.c. impedance spectroscopy are also employed to characterize the reversibility and reactions of lithium insertion and extraction in Li[Cr x Li(1/3−x/3)Mn(2/3−2x/3)]O2 electrodes.
A challenge with the use of metal anodes in batteries is their inability to sustain structural stability, especially at high currents. Here the authors examine electrochemomechanical properties of metal anodes and demonstrate an effective semi-solid electrode approach at practically relevant conditions.
A VO–flyash composite electrode for a lithium/polymer battery (LPB) was developed. We investigated XRD diffraction and electrochemical properties of vanadium oxide (VO)–flyash composite with polyvinylidene (PVDF)/polyacrylonitrile (PAN)-based polymer electrolyte as a function of mixing ratio. The discharge capacity of VO–flyash with 50wt.% V2O5 in PVDF–PAN–PC5EC5iClO4 electrolyte was 150 and 128mAh/g at 1 and 10 cycles, respectively. The discharge capacity of VO–flyash with 85wt.% V2O5 was 195mAh/g at 10 cycles. The capacity retention of VO–flyash anode with 3wt.% V2O5 was higher than that of VO–flyash cathode with 85wt.% V2O5. The VO–flyash with 3wt.% V2O5 composite anode in PVDF/PAN-based electrolyte shows good capacity with cycling.
Complex spinel Li2CuTi3O8 with a space group of Fd-3m is prepared for the first time by a simple solid state reaction route. This compound has different space group from the previous reported Li2MTi3O8 (M = Zn, Co, Mg, Ni and Mn) with a space group of P4332. It shows reversibility for lithium storage in the cubic structure. A reversible capacity of 203 mAh g−1 can be delivered at a current density of 100 mA g−1 after 50 cycles with the capacity retention of 70.7%. The electrochemical reaction mechanism between Li2CuTi3O8 and lithium is investigated by various in-situ and ex-situ observations. Rietveld refinement results show that Li2CuTi3O8 has multiple interstitials to accommodate lithium ions during the lithiation process, in which the irregular octahedral 32e sites would be occupied by lithium ions at high working potentials and the regular octahedral 16c sites would be occupied by lithium ions at low working potentials. Besides, a reversible migration of copper ions can found during discharge process. Based on the reverse delithiation process, it is known that the whole charge–discharge process is quasi-reversible for Li2CuTi3O8. Therefore, Li2CuTi3O8 shows high structural stability as a promising lithium storage material for lithium-ion batteries.
The potential to enable unprecedented performance, durability, and safety has created the impetus to develop bulk-scale all-solid-state batteries employing metallic Li as the negative electrode. Owing to its low density, low electronegativity and high specific capacity, Li metal is the most attractive negative electrode. However, failure caused by the formation of dendrites has limited the widespread use of rechargeable batteries using metallic Li negative electrodes coupled with liquid electrolytes. One approach to mitigate the formation of dendrites involves the use of a solid electrolyte to physically stabilize the Li–electrolyte interface while allowing the facile transport of Li-ions. Though in principle this approach should work, it has been observed that at high Li deposition rates Li metal can propagate through relatively hard ceramic electrolytes and Li dendrite formation causing short circuit has been reported. Why this occurs is poorly understood, emphasizing the need to close the knowledge gap and facilitate the development of advanced batteries employing solid electrolytes. Here, through precise microstructural control, striking electron microscopy, and high-resolution surface spectroscopy, we directly observed for the first time the propagation of Li metal through a promising polycrystalline solid electrolyte based on the garnet mineral structure (Li6.25Al0.25La3Zr2O12). Moreover, we observed that Li preferentially deposits along grain boundaries (intergranularly). These results offer insight into the electrochemical-mechanical phenomena that govern the stability of the metallic Li–polycrystalline solid electrolyte interface and are essential to the maturation of solid-state batteries.
A series of CuO-doped activated carbons (CDACs) were prepared by chemical deposition. The electrochemical behavior of CDACs was investigated in electrochemical capacitors based on ionic liquid 1-ethyl-3-methylimidazolium thiocyanate ([EMIm]SCN) as electrolyte. The results indicated that a diffusion-controlling, reversible redox reaction of CuO particles happened in ionic liquid and porous carbon. When the amount of CuO-doped activated carbon with a specific surface area of 2460m2 g−1 reached 2%, the single electrode average specific capacitance can reach the maximal value of 210Fg−1, about 20% higher than the one used pure activated carbon as electrode material.
Objective The objective of this paper is to analyse the extent to which electric vehicle (EV) charging control substitutes the needs for cross-border electricity transmission investment. Method EUPowerDispatch, a minimum-cost unit commitment dispatch model, is used to compare the impacts of controlled EV charging and cross-border transmission for different levels of variable renewable energy sources penetration in two case studies: a conceptual two-node system and the European power system. Results Results show how both controlled EV charging and cross-border transmission capacity reduce electricity dispatch costs, curtailment of variable renewable energy sources (RES), storing energy by utilising pumped hydro, and unserved load. The paper shows that when the demand for arbitrage is low, controlled EV charging can substitute for a certain volume of cross-border transmission capacity. When demand for arbitrage becomes higher due to higher volumes of RES, the two increasingly complement one another with respect to reducing dispatch costs. The main reason for this is that cross-border transmission capacity is needed to transport power to where electric vehicles can absorb it. Conclusion Demand response, in this case EV charging control, is not only a competitor of cross-border electricity transmission. In the presence of a high volume of RES, they can complement one another. Practical implications The study presented in this paper provides insights about potential investment decisions that Europe will have to face in order to meet the decarbonisation goals set by the European Commission by 2050. Transmission planners should take into consideration that while demand response and cross-border transmission capacity may substitute each other at a limited share of intermittent renewable energy, at a higher share their interactions become more complex as their benefits become dependent on each other.
Zhang et al. show that the poly(GA) proteins produced in patients with C9ORF72 repeat expansions cause neurodegeneration and behavioral abnormalities when expressed in mice. The emergence of these phenotypes requires poly(GA) aggregation, and poly(GA) inclusions sequester HR23 proteins involved in proteasomal degradation, as well as proteins involved in nucleocytoplasmic transport.
We describe the first results obtained using a novel free-drifting neutrally buoyant sediment trap called PELAGRA (Particle Export measurement using a LAGRAngian trap). The trap uses an APEX float (Autonomous Profiling EXplorer) to maintain its location at a predetermined depth or density horizon and is designed to be deployed in the depth range 100–600m for periods of up to a week. PELAGRA was deployed into a well characterised region of the Northeast (NE) Atlantic over the Porcupine Abyssal Plain (PAP) during the summers of 2003, 2004, 2005 and 2006 in post-bloom conditions. In parallel, measurements were made of total and new primary production and estimates of particle export based on 234Th deficits in the upper water column. Samples of sinking material from PELAGRA were recovered almost uncontaminated by “swimmers”. The material collected differed from that obtained using water bottles and an in situ filtration system and this indicated selective export of centric diatoms. Fluxes of 234Th into the traps were less than that calculated from the deficit of this isotope in the upper water column. It is concluded that this reflects export events that had occurred prior to these deployments. Fluxes of organic carbon into the PELAGRA traps were similar to those expected from measurements of new production in the upper mixed layer. During 2006, simultaneous PELAGRA deployments at depths of 150 and 250m provided a direct measurement of the decrease in flux with depth. This decrease was substantially more than that predicted by the often-used “Martin equation” and yielded a “b value” of 1.7. Using this value in the NE Atlantic about 14% of the total production reaches a depth of 150m during the post-bloom period under nutrient limitation.
Substitution of 5% of Zr by Ca in LiZr2(PO4)3 transforms the structure to that of rhombohedral NASICON to give a room-temperature bulk Li-ion conductivity σ Li ≈1.2×10−4 Scm−1, which is comparable to that of Li1.3Ti1.7Al0.3(PO4)3 now being used as a solid Li-ion separator in test cells of novel Li-ion batteries.
Titanium dioxide (TiO2) has been proposed as a potential electrode material for lithium, sodium, and magnesium ion batteries. Among the phases of TiO2, anatase, rutile, and (B)–TiO2 are the most commonly used phases for electrochemical storage, while the amorphous phase has also been shown to be a promising candidate. We present a comparative density functional theory study of the insertion energetics of Li, Na, and Mg into anatase, rutile, and (B)–TiO2, as well as into the amorphous phase. Our results show that among the crystalline phases, (B)–TiO2 provides the strongest binding between TiO2 and the inserted Li/Na/Mg atom. We also find that for all Li, Na, and Mg, the amorphous phase provides insertion sites well-dispersed in energies, with a lowest energy site more thermodynamically favorable than insertion sites in the crystalline phases. We also obtain the localized Ti3+ states together with the formation of the defect states in the band gap, which are induced by the insertion, at the GGA level of theory (without the Hubbard correction).
The solid electrolyte interphase (SEI) layer on AlSb electrodes has been studied in Li/AlSb cells containing a LiPF6 EC/DEC electrolyte using X-ray photoelectron spectroscopy (XPS). Data were collected before SEI-formation, during formation, and after formation at 0.01V versus Li0/Li+, and at full delithiation in cycled cells at 1.20V. The thickness of the SEI layer increases during lithiation and decreases during delithiation. This dynamic behaviour occurs continuously on cycling the cells. The growth of the SEI layer can be attributed predominantly to the deposition of carbonaceous species below 0.50V versus Li0/Li+; these species disappear almost completely during delithiation. The extra surface-layer formation is a consequence of the additional charge that is needed to lithiate the remaining Sb component of the micrometer-sized AlSb particles at low potentials as seen by synchrotron-based X-ray diffraction. Aluminium is not reactive to lithium alloying in this electrolyte. Relatively small amounts of LiF were detected in the AlSb SEI layers compared to that commonly found in the SEI layers on graphite electrodes.
Spherical particle morphology of Li1.1Ni1/3Co1/3Mn1/3O2 cathode material was carefully controlled by spray drying the slurry containing mixed oxides pre-calcined at 900°C. The as-dried powders were then treated in a microwave-processing cavity with different power and time. The microwave-processing cavity is a designed elliptically resonant cavity with double foci. One focusing zone concentrated microwave energy to treat the as-dried cathode material. After microwave-treated power of 200W for 15min at least, high purity of Rocksalt structure showed high ratio of integrated intensities of (003)/(104), larger than 1.1, and double peaks (006)/(102) and (108)/(110) split up clearly based on X-ray diffraction patterns. After 200W microwave treating for 15min, the discharge capacity of the obtained Li1.1Ni1/3Co1/3Mn1/3O2 powders was 120mAhg−1 by charging from 4.3 to 2.5V at room temperature. Furthermore, discharge capacity larger than 140mAhg−1 can be obtained for treating with 200W microwave energy for 30min. Nevertheless, the discharge capacity was less than 100mAhg−1 treated with 1100°C/24h by conventional furnace. The microwave-treated Li1.1Ni1/3Co1/3Mn1/3O2 cathode material sustains capacity less than 5% degradation after 50 cycles test. The results of microwave process show promise properties requirement for commercial applications.
In Childhood-Onset Systemic Lupus Erythematosus (cSLE), poor medication adherence rates are very high. Interventions targeting this problem in cSLE are limited thus effective interventions are needed. The objective of this study is to examine the feasibility and acceptability an intervention (automated digital reminders + personalized prescribed treatment plan (pPTP)) to improve medication adherence in young adults with cSLE over 3 months.
The redox behavior of a decavanadium complex [(VO)10(μ2-O)9(μ3-O)3(C5H7O2)6] (1) was studied using cyclic voltammetry under acidic and basic conditions. The reduction potential of V(V) was found at less positive potentials for higher pH electrolyte solutions. The oxygen reduction at complex 1 immobilized on a modified electrode was examined using cyclic voltammetry and rotating ring-disk electrode techniques in the 1M KOH solutions. On the basis of measurements using a rotating disk electrode (RDE), the complex 1 was found to be highly active for the direct four-electron reduction of dioxygen at −0.2V versus saturated calomel electrode (SCE). The complex 1 as a reduction catalyst of O2 with a high selectivity was demonstrated using rotating ring-disk voltammograms in alkaline solutions. The application of complex 1 as an oxygen reduction catalyst at the cathode of zinc–air cell was also examined. The zinc–air cell with the modified electrode showed a stable discharge potential at approximately 1V with discharge capacity of 80mAhg−1 which was about five times larger than that obtained with the commonly used manganese dioxide catalyst.
Heat recovery from sources with temperatures below 100 ∘C can provide a significant amount of energy, but it is difficult to achieve with current technologies. Straub et al. devise a thermo-osmotic energy conversion process that can generate power from heat sources at temperatures as low as 40 ∘C.
A bottom-up approach to calculate the overall and averaged thermal properties of the jelly roll or electrode stack of Li-ion cells in a generally applicable way is introduced. The model is based on temperature-dependent material properties and is specifically applied to a prismatic hardcase cell. The geometrical properties, such as width, depth, height, porosity, tortuosity, and the saturation with electrolyte are considered. Most of the material properties are determined by own measurements within a wide temperature range and compared with literature data. Anisotropic unit cell properties for homogenised three-dimensional thermal models and the corresponding representative thermal conductivity for one- or two-dimensional models can be calculated. A non-destructive measurement technique to determine the thermal conductivity of prismatic hardcase cell geometries and validate the described model is presented.
Energy conversion and storage in a Li-ion cell involves multiple closely coupled transport processes, such as species diffusion through solid and solution phases in the electrode. Mathematical modeling of these processes is critical for fully understanding and optimizing the performance of a Li-ion cell. While a number of analytical and numerical models have been presented for solution phase diffusion, most of such work is based on the assumption of a constant current density. This paper presents analytical modeling of solution phase diffusion in a separate–electrode composite for a generalized, time-dependent current density. An analytical solution for the concentration field in a separator–electrode composite in such conditions is derived using the method of eigenfunction expansion. Good agreement with past work as well as numerical simulations is shown. Results for linear, periodic and step-function boundary conditions are discussed. The theoretical analysis presented here may help accurately model realistic processes where the applied current changes over time, for example, cyclic charge and discharge in an electric vehicle, or sudden changes in the battery load. Results presented here contribute towards the fundamental understanding of solution phase diffusion in Li-ion cells, and provide a basis for improving electrochemical energy conversion and storage processes.