Energy storage

Lithium-rich layer oxide cathodes are promising energy storage materials due to their high energy densities. However, the oxygen loss during cycling limits their practical applications. Here we reveal the essential role of Li content on the topological inhibition of oxygen loss in lithium-rich cathode materials, and the relationship between the migration networks of oxygen ions with the transition metal (TM) component. Utilizing first-principles calculations in combination with percolation theory and Monte Carlo simulations, we find that TM ions can effectively encage the oxidized oxygen species when the TM concentration in TM layer exceeds 5/6, thus hindering the formation of oxygen ion percolation network...

The solid-state lithium sulfur battery (SSLSB) is an attractive next-generation energy storage system by reason of its remarkably high energy density and safety. However, the SSLSB still faces critical challenges, such as sluggish reaction kinetics, mismatched interface, and undesirable reversible capacity. Herein, a high-performance SSLSB is reported using sulfurized polyacrylonitrile with rich selenium-doped sulfur (Se/S-S@pPAN) as a cathode and poly(ethylene oxide)/Li7 La3 Zr1.4 Ta0.6 O12 (PEO-LLZTO) as an electrolyte...

Fourth-generation synchrotron storage rings represent a significant milestone in synchrotron technology, offering outstandingly bright and tightly focused X-ray beams for a wide range of scientific applications. However, due to their inherently tight magnetic lattices, these storage rings have posed critical challenges for accessing lower-energy radiation, such as infrared (IR) and THz. Here the first-ever IR beamline to be installed and to operate at a fourth-generation synchrotron storage ring is introduced...

Inorganic polyphosphate (polyP) is widely recognized for playing important roles and processes involved in energy and phosphate storage, regulation of gene expression, and calcium signaling. The less well-known role of polyP is as a direct mediator of ion transport across biological membranes. Here, we will briefly summarize current knowledge of the molecular mechanisms of how polyP can be involved in membrane ion transport. We discuss three types of mechanisms that might involve polyP: (1) formation of non-protein channel complex that includes calcium, polyP, and polyhydroxybutyrate (PHB); (2) modulation of the channel activity of PHBlated protein channels; and (3) direct effects of polyP on the function of the voltage-gated ion channels in the process that do not involve PHB...

Nonaqueous organic redox flow batteries (N-ORFBs) are a promising technology for grid-scale storage of energy generated from intermittent renewable sources. Their primary benefit over traditional aqueous RFBs is the wide electrochemical stability window of organic solvents, but the design of catholyte materials, which can exploit the upper range of this window, has proven challenging. We report herein a new class of N-ORFB catholytes in the form of squaric acid quinoxaline (SQX) and squaric acid amide (SQA) materials...

Development of crystalline porous materials for selective CO2 adsorption and storage is in high demand to boost the carbon capture and storage (CCS) technology. In this regard, we have developed a β-keto enamine-based covalent organic framework ( VM-COF ) via the Schiff base polycondensation technique. The as-synthesized VM-COF exhibited excellent thermal and chemical stability along with a very high surface area (1258 m2 g-1 ) and a high CO2 adsorption capacity (3.58 mmol g-1 ) at room temperature (298 K)...

P2-Na x MnO2 has garnered significant attention due to its favorable Na+ conductivity and structural stability for large-scale energy storage fields. However, achieving a balance between high energy density and extended cycling stability remains a challenge due to the Jahn-Teller distortion of Mn3+ and anionic activity above 4.1 V. Herein, we propose a one-step in situ MgF2 strategy to synthesize a P2-Na0.76 Ni0.225 Mg0.025 Mn0.75 O1.95 F0.05 cathode with improved Na-storage performance and decent water/air stability...

Sodium-ion batteries (NIBs) are promising systems for large-scale energy storage solutions; yet, further enhancements are required for their commercial viability. Improving the electrochemical performance of NIBs goes beyond the chemical description of the electrolyte and electrode materials as it requires a comprehensive understanding of the underlying mechanisms that govern the interface between electrodes and electrolytes. In particular, the decomposition reactions occurring at these interfaces lead to the formation of surface films...

While artificial intelligence drives remarkable progress in natural sciences, its broader societal implications are mostly disregarded. In this study, we evaluate environmental impacts of deep learning in materials science through extensive benchmarking. In particular, a set of diverse neural networks is trained for a given supervised learning task to assess greenhouse gas (GHG) emissions during training and inference phases. A chronological perspective showed diminishing returns, manifesting themselves as a 28% decrease in mean absolute error and nearly a 15,000% increase in the carbon footprint of model training in 2016-2022...

This study aims to explore the characteristics of tangent hyperbolic fluid flow along a stretching sheet. The sheet has suction or injection influences and is located inside a porous medium. The research inspects the flow and heat transfer (FHT) properties, taking into account the presence of a velocity slip condition. The flow of non-Newtonian magnetohydrodynamic fluid caused by a porous stretching sheet, taking into account thermal radiation and heat generation, has a wide range of engineering applications...

Vanadium redox flow battery (VRFB) is a highly suitable technology for energy storage and conversion in the application of decoupling energy and power generation. However, the sluggish reaction kinetics of redox couples is one of the bottlenecks hindering the commercialization of VFFBs. Developing efficient electrode is a promising method to improve the battery performance. In this work, a reduced graphene oxide/Mxene hybrid-decorated graphite felt (rGO/Mxene@GF) is designed to facilitate the kinetics of redox reaction...

BACKGROUND: Anuran metamorphosis, which is driven by thyroid hormone (TH)-mediated processes, orchestrates intricate morphological and functional transformations for the transition from aquatic tadpoles to terrestrial life, providing a valuable model for studying organ functionalization, remodeling, and regression. Larva-specific organ regression is one of the most striking phenomena observed during the anuran metamorphic climax. While previous studies extensively analyzed the regression mechanisms of the tail, the molecular processes governing gill resorption remain elusive...

Ion exchange is a powerful method to access metastable materials with advanced functionalities for energy storage applications. However, high concentrations and unfavourably large excesses of lithium are always used for synthesizing lithium cathodes from parent sodium material, and the reaction pathways remain elusive. Here, using layered oxides as model materials, we demonstrate that vacancy level and its corresponding lithium preference are critical in determining the accessible and inaccessible ion exchange pathways...

A sustainable society requires high-energy storage devices characterized by lightness, compactness, a long life and superior safety, surpassing current battery and supercapacitor technologies. Single-walled carbon nanotubes (SWCNTs), which typically exhibit great toughness, have emerged as promising candidates for innovative energy storage solutions. Here we produced SWCNT ropes wrapped in thermoplastic polyurethane elastomers, and demonstrated experimentally that a twisted rope composed of these SWCNTs possesses the remarkable ability to reversibly store nanomechanical energy...

Hydrate-based CO2 storage in the ocean is considered a potential method for mitigating the greenhouse effect. Numerous studies demonstrated that NaCl exhibited the dual effects of promotion and inhibition in the nucleation and growth processes of CO2 hydrate, whose mechanisms remain unclear. In this study, the effects of NaCl at various concentrations on the CO2 hydrate growth and crystal are investigated. The independent gradient model based on Hirshfeld partition, electrostatic potential, and binding energy is conducted to study the interaction between ions and water molecules...

Molten salts are the operational fluid for most concentrated solar power (CSP) systems, which has attracted more attention among the scientific community due to the augmentation of their properties with the doping of nanoparticles. Hexagonal boron nitride (h-BN) nanoparticles were dispersed in HITEC molten salt to create a novel nanofluid and evaluate the h-BN nanoparticles' influence on HITEC thermophysical properties. The influence of nanoparticle concentration (0.1, 0.5, and 1wt.%) of h-BN and HITEC was studied in this research...

Pnictogen nanomaterials have recently attracted researchers' attention owing to their promising properties in the field of electronic, energy storage, and nanomedicine applications. Moreover, especially in the case of heavy pnictogens, their chemistry allows for nanomaterial synthesis using both top-down and bottom-up approaches, yielding materials with remarkable differences in terms of morphology, size, yield, and properties. In this study, we carried out a comprehensive structural and spectroscopic characterization of antimony-based nanomaterials (Sb-nanomaterials) obtained by applying different production methodologies (bottom-up and top-down routes) and investigating the influence of the synthesis on their oxidation state and stability in a biological environment...

Micellar drug delivery systems (MDDS) for the intravenous administration of poorly soluble drugs have great advantages over alternative formulations in terms of the safety of their excipients, storage stability, and straightforward production. A classic example is mixed micelles of glycocholate (GC) and lecithin, both endogenous substances in human blood. What limits the use of MDDS is the complexity of the transitions after injection. In particular, as the MDDS disintegrate partially or completely after injection, the drug has to be transferred safely to endogenous carriers in the blood, such as human serum albumin (HSA)...

While computational screening with density functional theory (DFT) is frequently employed for the screening of metal-organic frameworks (MOFs) for gas separation and storage, commonly applied generalized gradient approximations (GGAs) exhibit self-interaction errors, which hinder the predictions of adsorption energies. We investigate the Hubbard U parameter to augment DFT calculations for full periodic MOFs, targeting a more precise modeling of gas molecule-MOF interactions, specifically for N2, CO2, and O2...

In the quest for innovative energy solutions suitable for mobile, stationary and digital applications, ferroelectric topological insulators (FETIs)1 emerge as promising candidates. These materials combine topologically protected states with spontaneous and switchable polarization. This study reveals emergent phenomena in FETI-electrolytes through experiments and simulations, specifically in the A3-2 x Ba x ClO family (where A = Li, Na or K, and x = 0 or 0.005). Here, it is shown that surface oscillations of the potential ( V ), temperature, and mass may synchronize with the bulk's oscillations, and be harnessed and stored in the form of electrical energy either in a sole FETI or in a battery-type cell presenting a panoply of applications from wireless batteries to transistors, memories, sensors, and selective catalysts...