batterydata/paper-abstracts huggingface dataset:
There are numerous models of rechargeable batteries in the current literature. Some of them are complicated electrochemical approaches; others, are given by simple analogies. However, simple models with electrochemical states capable of describing important quantities, like the rate capacity effect and the recovery effect, are hard to find. In this paper, based on an electrochemical approach, we present a generalized model suitable for use in BMS applications, which takes into account explicitly the rate capacity effect and the state of charge. Moreover, the model is thought up for general energy storage processes based on mass transport and charge transfer. The proposed general model approach is able to interpret the most commonly used models in the literature.
We utilized electrochemical quartz crystal microbalance to understand electrochemical passivation of the zinc electrode in alkaline media and subsequent oxide growth and stripping. The formation of native zinc oxide on a near pristine Zn surface upon contact with 1 M KOH electrolyte was observed. The surface was seen to roughen with time. During Zn dissolution, the measured mass-charge ratio corresponded to the removal of ZnO and not merely Zn. The mechanism of passivation was determined to be caused by electrochemical etching to form pores. The etching leads to a build-up of solid ZnO and Zn(OH)2 due to electrochemical reactions on the surfaces of the pores. These reactions functionally close the pores off from the bulk. The cycle of Zn deposition and dissolution develops a porous network, which may be the origin of mossy Zn deposits that plague reversible Zn metal batteries.
Thin-iron sulfide films were deposited electrochemically on nickel current collector, and used as cathodes in lithium/composite polymer electrolyte cells. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) tests showed that 0.6–1μm thick FeS1+ x films were amorphous, with the Fe:S stoichiometry of the films invariant with depth. A Li/CPE/FeS1+ x cells ran at i d = i ch = 50μA/cm2 (c/1 rate) and 125°C for over 650 charge/discharge cycles with 0.06% per cycle capacity loss and 100% Faradaic efficiency.
In individuals with only mild or very mild cognitive attenuations (i.e., so-called pre-clinical AD), performance-based measures of function may be superior to informant-based measures because of increased sensitivity, greater reliability, and fewer ceiling effects.
The lithium concentration in the graphite anode of fatigued (cycled 1000 times at 25 °C) Li-ion cell of 18650-type has been probed non-destructively by spatially resolved neutron diffraction. The amount x of Li in LixC6 has been determined in a central plane of a cylinder-type Li-ion cell. A radial mesh with a gauge volume of 2 × 2 × 20 mm3 was used. Besides the evidently lower lithiation grade, caused by a lack of free movable lithium and a loss of electrolyte, a development of fatigue-driven spatial lithium inhomogeneities has been observed in radial direction. Observed changes have been discussed in light of their correlations to an increase of the internal cell resistance and to a change of the electrolyte concentration.
Two different options for the autonomous power supply of rural or/and remote buildings are examined in this study. The first one involves a PV – diesel based power system, while the second one integrates RES and hydrogen technologies for the development of a self – sustained power system. The main objective is the replacement of the diesel generator and a comparison between these two options for autonomous power supply. Model simulations of the two power systems before and after the replacement, an optimization of the component sizes and a techno – economic analysis have been performed for the purpose of this study. A sensitivity analysis taking into account future cost scenarios for hydrogen technologies is also presented. The results clearly show that the Cost of Energy Produced (COE) from the PV – hydrogen technologies power system is extremely higher than the PV – diesel power system. However, the adopted PV – hydrogen technologies power system reduces to zero the Green – House Gas (GHG) emissions. Moreover, the sensitivity analysis indicates that COE for the latter system can be further reduced by approximately 50% compared to its initial value. This could be achieved by reducing critical COE’s parameters, such as PEM electrolyser and fuel cell capital costs. Hence, a possible reduction on the capital costs of hydrogen energy equipment in combination with emissions reduction mentioned above could make hydrogen – based power systems more competitive.
The normal operation of Li metal batteries is limited to near room temperature and moderate current rates. Now, a self-assembled electrochemically active monolayer is shown to enable the stable operation of Li metal batteries below –15 oC and at a fast-charging time of 45 minutes.
A recent research in the field of microbial fuel cell (MFC) is exploring bio-electrochemical processes to generate electricity. Fundamentals to microbial fuel cell are proper cost effective cell design, electrodes, substrates, proton exchange membranes and bacterial species forming biofilms on electrode. The MFC is considered to be specific for current generation by bacterial metabolism. The current review uncovers the fact that MFC technology is not only for the current generation but is also effective for bio-remediation, bio-sensors and for biosynthesis of valuable organic products. Industrial and domestic wastes are pollutants, toxic for health and environment. Their chemical treatment itself requires expensive chemicals which in turn lead to other composites in the environment. The cost effective and safe technique has been employed for remediation like catalytically active bio-electrodes in MFC. The exoelectrogens are capable of electron transfer by forming conductive biofilms on the solid surfaces of electrodes. The Geobacter, Shewanella and Sporomusa species have the tendency to form nanowires or have C-type cytochromes for electron conduction. The redox capability of these electro active biofilms is not only to reduce the hazardous materials but also to catalyze the electrochemical reactions like corrosion alleviation, biosensor development, bio-remediation and biochemical synthesis. These bio-electrochemical techniques have been proved to be the best for low cost, high catalytic activity, less pollution and no secondary contaminants.
A pure phase of VO2(B) nanorods have been synthesized through an energy-efficient microwave hydrothermal reaction and used as cathode materials of lithium ion batteries, which exhibit promising specific capacity (e.g., 130mAhg−1 even after 100 charge/discharge cycles) and rate capacity (e.g., ~130mAhg−1 at a high current of 400mAg−1). The excellent cyclability originates from the structural reversibility of VO2(B) upon lithiation/delithiation that is confirmed by the in situ high-energy synchrotron X-ray diffraction (HEXRD) and in situ x-ray adsorption near-edge spectroscopy (XANES) of the VO2 nanorods in operating battery cells. The real-time results reveal that discharge forces lithium ions to insert firstly into the tunnels with the largest size along b direction followed by the second largest tunnels along c direction, which is completely reversible in the charge process.
Dissolution mechanisms suggested for Zn have been discussed. It has been shown that the anions adsorbed on the metal or metal hydroxide surfaces play an important role in the dissolution process, therefore involvement of anions in the charge and mass balance cannot be neglected. An attempt has been made to demonstrate that without taking into account the real meaning of charge transfer processes, the application of the suggested mechanism and the relevant kinetic equations may lead to serious problems in the interpretation of the experimental results.
Improving the wettability of liquid electrolyte to polyolefin separators plays a significant role in the fabrication of high performance lithium-ion batteries. Herein, we report a facile surface coating method to enhance the wetting capacity of commercially available polypropylene (PP) separator. Natural polyphenol tannic acid (TA) and sodium periodate are selected as the coating precursor and inorganic trigger, respectively. Coating formation is initiated by the absorption of tannin molecules on the separator surface and then triggered by a single contact (5min) with sodium periodate solution. After being modified, wettability of the separator can be significantly enhanced without damaging its original advantage properties, which accordingly resulted in higher electrolyte uptake and better interfacial compatibility. Furthermore, the LiCoO2/graphite full cells assembled with the modified separator displays an excellent cycle stability with coulombic efficiency exceeding 99.9% and superior rate performance. The ease, low cost and scalability of this coating process, combine with the general surface binding affinity of polyphenol, making this surface modification technique suitable to upgrade other inert substrates for various applications.
Prussian blue analogue (PBA) material is a promising cathode for applications in Na-ion and K-ion batteries which can support high c-rates for charge and discharge. In this study, the material of composition [K2CuIIFeII(CN)6] was synthesized and its structural and electrochemical redox behavior was investigated with 5 different alkali insertion cations (Li+, Na+, K+, Rb+, Cs+). Galvanostatic measurements indicate that the redox potential strongly depends on the ionic radius of the inserted cation. The redox potential varies by ∼400 mV between using Li+ (0.79 Å) or Cs+ (1.73 Å) in the electrolyte. The underlying modification of the Fe2+/Fe3+ redox potential in PBA is proposed to be due to the weakening of the Fe–C bond in the material. This hypothesis is supported by XRD measurements which reveal that the lattice parameter of the de-intercalated host structure follows the same trend of monotonic increase with the cation size. The relatively minor volume changes accompanying the redox (1.2%–2.4%) allow the PBA to accommodate differently sized cations, although the structural hindrances are quite pronounced at high c-rates for the larger ones (Rb+ and Cs+). Cycle aging studies indicate that the minimum capacity fade rate is observed in case of K+ and Rb+ containing electrolyte. The peak intensity corresponding to the [220] crystallographic plane varies depending on the state of charge of PBA, since this plane contains the insertion cations. Owing to the sensitivity of the redox potential to the insertion cation coupled with the observed fast ion-exchange ability, the PBA material may find additional analytical applications such as ion sensing or filtration devices.
LiFe0.4Mn0.6−xNixPO4/C(x = 0, 0.05, 0.1, and 0.2) composite cathode materials for lithium ion batteries have been prepared by the co-precipitation method using oxalic acid as a precipitator. The structure and morphology of precursors and products have been investigated. Electrochemical tests demonstrate that LiFe0.4Mn0.55Ni0.05PO4 can deliver a specific capacity of 142 mAh g−1 at 0.1 C, and retains 133 mAh g−1 after 60 cycles. The rate performance of LiFe0.4Mn0.6PO4 is obviously improved by doping Ni. The capacity of LiFe0.4Mn0.55Ni0.05PO4 at 2 C is 110 mAh g−1.
The relation between the global happiness and school-related happiness of 737 12-year-old students was examined. The measures were the Subjective Happiness Scale Lyubomirsky and Lepper (1999) and the School Children’s Happiness Inventory (SCHI 2007). Additionally, the respondents were asked to choose from a list of 12 putative items that make people happy what they felt increased their happiness. They were also asked about their relationships with family members and other important people. The results show a strong relationship between global and school-related happiness and social relationships. The most popular choices of the happiness increasing factors were success in school, more free time and success in a hobby. However, the choices were dependent on the level of global happiness. The least happy students more often than others wanted to have more friends, better looks, more money and a peaceful family life. The happiest students had the fewest number of expressed desires with no special characteristics. The results confirm safe social relations as a primary factor underlying children’s happiness, but they also reveal an achievement-focused attitude in the Finnish students. Future directions in happiness research among school children are discussed.
A system to control gene expression based on a destabilized form of Cre recombinase is reported. Drug-induced stabilization of Cre triggers recombination of 'floxed' alleles in the genome and is here used to genetically modify the activity of neural circuits in the mouse brain.
N-doped carbon coated LiTi2(PO4)3 composites were synthesized by polyaniline (PANi) as carbon and nitrogen bi-sources, and used as anode for aqueous lithium ion battery (ALIB). High-quality N-doped carbon layers were achieved to modify LiTi2(PO4)3 crystal. ALIB using as-synthesized LiTi2(PO4)3@C-N as anode exhibited superior rate performance. It delivered discharge capacities of 122.4, 105.8, and 95.3 mAh g−1 at rates of 0.2, 10, and 20C, respectively, much higher than those (97.4, 61.1, and 43.9 mAh g−1) of LiTi2(PO4)3/C using sucrose as carbon source. Furthermore, LiTi2(PO4)3@C-N anode demonstrated outstanding cycling performance with a capacity retention of 82.1% after 1000 cycles at 2C, while only 56.3% of capacity retention was kept for that using sucrose as carbon source. The excellent electrochemical performances of LiTi2(PO4)3@C-N are mainly attributed to good dispersion, proper carbon layer, and nitrogen doping, further accelerating the charge transfer and diffusion of Li ions/electrons.
Thermal, electrical conductivity and dielectric relaxation measurements have been performed on (PEO)9LiTFSI+10 wt.% Al2O3 nano-porous polymer electrolyte system. It is observed that the conductivity enhances substantially due to the presence of the filler particles with different surface groups. The highest enhancement is found for the filler particles with acidic groups followed by basic, neutral, and weakly acidic. The results reveal that the filler particles do not interact directly with poly(ethelene) oxide (PEO) chains indicating that the main chain dynamics governing the ionic transport has not significantly affected due to the filler. The results are consistent with the idea that the conductivity enhancement is due to the creation of additional sites and favourable conduction pathways for ionic transport through Lewis acid–base type interactions between the filler surface groups and the ionic species. This is reflected as an increase in the mobility rather than an increase in the number of charge carriers. A qualitative model has been proposed to explain the results.
Dopamine (DA) neurotransmission, particularly the ventral tegmental area-nucleus accumbens (VTA-NAcc) projection, underlies reward and aversion processing, and deficient DA function could underlie motivational impairments in psychiatric disorders. 6-hydroxydopamine (6-OHDA) injection is an established method for chronic DA depletion, principally applied in rat to study NAcc DA regulation of reward motivation. Given the increasing focus on studying environmental and genetic regulation of DA function in mouse models, it is important to establish the effects of 6-OHDA DA depletion in mice, in terms of reward and aversion processing. This mouse study investigated effects of 6-OHDA-induced NAcc DA depletion using the operant behavioural test battery of progressive ratio schedule (PRS), learned non-reward (LNR), learned helplessness (LH), treadmill, and in addition Pavlovian fear conditioning. 6-OHDA NAcc DA depletion, confirmed by ex vivo HPLC-ED, reduced operant responding: for gustatory reward under effortful conditions in the PRS test; to a stimulus recently associated with gustatory non-reward in the LNR test; to escape footshock recently experienced as uncontrollable in the LH test; and to avoid footshock by physical effort in the treadmill test. Evidence for specificity of effects to NAcc DA was provided by lack of effect of medial prefrontal cortex DA depletion in the LNR and LH tests. These findings add significantly to the evidence that NAcc DA is a major regulator of behavioural responding, particularly at the motivational level, to both reward and aversion. They demonstrate the suitability of mouse models for translational study of causation and reversal of pathophysiological DA function underlying motivation psychopathologies.
Non-alcoholic fatty liver disease (NAFLD) is closely linked to obesity, type 2 diabetes and other metabolic disorders worldwide. Crocin is a carotenoid compound possessing various pharmacological activities. In the present study, we aimed to investigate the effect on fatty liver under diabetic and obese condition and to examine the possible role of AMP-activated protein kinase (AMPK) signaling.
The Density Functional Theory with full potential linearized augmented plane wave uses to study the pure graphene and doped with different amounts of Germanium (5.55, 8.33, and 12.5%). It uses also Generalized Gradient Approximation and Tran-Blaha modified Becke-Johnson formalism to investigate their electronic and optical properties. Furthermore, it utilizes Germanium is able to open band gap due to the p-states of Ge, which are in hybridization with p-states of Carbon. Germanium concentration decreasing or increasing can control the band gap opening of graphene system. The optical absorption increases in the ultraviolet range, due to the important absorption that contains germanium above 150 nm.
With the development of Vehicle-to-Grid (V2G) technology and increasing number of electric vehicles (EVs) integrating in power grid, supplementary frequency regulation service provided by V2G aggregator has been seen as the most promising grid ancillary service provided by the integrated EVs. In this paper, an optimal dispatching strategy of V2G aggregator is proposed to satisfy the driving demand of EV owners and maximize the economic benefits of aggregator simultaneously when it participates in supplementary frequency regulation. A judgment module is designed to determine EVs in aggregator whether participating in frequency regulation according to EV battery SOC for EVs’ driving demand, which is calculated by EVs’ daily driving distance. An optimal regulation power calculation model is built to optimize profits of aggregator and tracking performance of frequency load control signal from grid operator. A fair regulation power allocation module is designed to avoid over-discharging of EVs in aggregator. Finally, the proposed strategy is implemented in the simulation experiments to demonstrate its effectiveness.
Carbon Ene-yne (CEY), a novel two-dimensional full carbon material, was synthesized from tetraethynylethene. Compared with the traditional preparation method of carbon materials, CEY was synthesized by chemical method in solvent-phase under mild condition (low temperature, atmospheric pressure). Diyne of CEY were connected through vinyl groups which is help for π-electron transition, thus this new material exhibits excellent electronic property. Small band gap of 0.05eV was predicted for CEY, and high conductivity of CEY film is up to 1.4×10−2 S/m which facilitates its application in electronic devices. Lithium-ion batteries featuring CEY-based electrode exhibit excellent electrochemical performance, including high specific capacities, outstanding rate performances, and a long cycle lives. We obtained a much high and reversible capacities of up to 410mAh/g even after a long-term cycling at a high current density of 748mA/g. Additionally, prepared by our mild solvent-phase chemical method, CEY might be a new star as a versatile materials for many electrochemical applications.
Atomistic simulations have become an invaluable tool for industrial applications ranging from the optimization of protein-ligand interactions for drug discovery to the design of new materials for energy applications. Here we review recent advances in the use of machine learning (ML) methods for accelerated simulations based on a quantum mechanical (QM) description of the system. We show how recent progress in ML methods has dramatically extended the applicability range of conventional QM-based simulations, allowing to calculate industrially relevant properties with enhanced accuracy, at reduced computational cost, and for length and time scales that would have otherwise not been accessible. We illustrate the benefits of ML-accelerated atomistic simulations for industrial R&D processes by showcasing relevant applications from two very different areas, drug discovery (pharmaceuticals) and energy materials. Writing from the perspective of both a molecular and a materials modeling scientist, this review aims to provide a unified picture of the impact of ML-accelerated atomistic simulations on the pharmaceutical, chemical, and materials industries and gives an outlook on the exciting opportunities that could emerge in the future.
Well-dispersed rhodium–nickel nanoparticles grown on graphene are successfully synthesized by co-reduction of graphene oxide and metal precursors, wherein graphene proved to be a powerful dispersion agent and distinct support for the RhNi nanoparticles. Unexpectedly, the resultant RhNi@graphene catalyst exerts 100% selectively and exceedingly high activity to complete the decomposition reaction of hydrous hydrazine at room temperature. This excellent catalytic performance might be due to the synergistic effect of the graphene support and the RhNi nanoparticles and the promotion effect of NaOH. The utilization of graphene as a novel two-dimensional catalyst support to anchor active component nanoparticles and thus to facilitate the electron transfer and mass transport kinetics during the catalytic reaction process opens up new avenues for designing next-generation catalysts.
All-solid-state lithium-ion batteries have the potential to not only push the current limits of energy density by utilizing Li metal, but also improve safety by avoiding flammable organic electrolyte. However, understanding the role of solid electrolyte – electrode interfaces will be critical to improve performance. In this study, we conducted long term cycling on commercially available lithium cobalt oxide (LCO)/lithium phosphorus oxynitride (LiPON)/lithium (Li) cells at elevated temperature to investigate the interfacial phenomena that lead to capacity decay. STEM-EELS analysis of samples revealed a previously unreported disordered layer between the LCO cathode and LiPON electrolyte. This electrochemically inactive layer grew in thickness leading to loss of capacity and increase of interfacial resistance when cycled at 80 °C. The stabilization of this layer through interfacial engineering is crucial to improve the long term performance of thin-film batteries especially under thermal stress.
Lithium-rich oxygen non-stoichiometric Li1.07Mn1.93O4−δ oxides with different oxygen vacancy values δ have been studied intensively using transmission electron microscope (TEM) at room temperature. The TEM observation shows that the dominant part of a given sample is the cubic spinel phase with secondary tetragonal phases, which have different lattice parameters. The detailed TEM study shows that the distortion level c p/a p ratio (a p and c p are the pseudo cubic unit cell parameters of the tetragonal phase) of the tetragonal phases ranges from 1.00 to 1.16. The diversity in values for the tetragonal phases is believed to be due to the differences in oxygen vacancy value among particles after annealing, which is related to the differences in their initial physical characteristics. The presence of twinning and defects in the tetragonal phases is common and the statistical results for the sample Li1.07Mn1.93O4−0.167 are given. The electrochemical test shows that the electrochemical performance of the annealed samples is dramatically deteriorated with increasing amount of oxygen vacancy.