Electrochemical CO2 reduction to multicarbon products faces challenges of unsatisfactory selectivity, productivity, and long-term stability. Herein, we demonstrate electroreduction in strongly acidic electrolyte (pH ≤ 1) on electrochemically reduced porous Cu nanosheets by combining the confinement effect cation synergistically modulate local microenvironment. A Faradaic efficiency 83.7 ± 1.4% partial current density 0.56 0.02 cm-2, single-pass carbon 54.4%, stable electrolysis 30 h a flow...

Selective electroreduction of carbon dioxide (CO2RR) into ethanol at an industrially relevant current density is highly desired. However, it challenging because the competing ethylene production pathway generally more thermodynamically favored. Herein, we achieve a selective and productive over porous CuO catalyst that presents high Faradaic efficiency (FE) 44.1 ± 1.0% ethanol-to-ethylene ratio 1.2 large partial 501.0 15.0 mA cm-2, in addition to extraordinary FE 90.6 3.4% for multicarbon...

Iridium-based electrocatalysts are the most promising candidates for acidic oxygen evolution reaction (OER). Considering their high cost and scarcity, it is imperative to maximize atom utilization enhance intrinsic activity of iridium. In this work, IrOx sub-2 nm clusters stabilized on TiO2 supports via metal support interaction (MSI) induced by vacancy defects in TiO2. The strength MSI readily tuned type vacancies: vacancies (VO-TiO2) induce adsorbed with relatively weak strength, while...

ABSTRACT Both the catalyst and electrolyte strongly impact performance of CO2 electrolysis. Despite substantial progress in catalysts, it remains highly challenging to tailor compositions understand their functions at interface. Here, we report that ethylenediaminetetraacetic acid (EDTA) its analogs, featuring strong Lewis acid-base interaction with metal cations, are selected as additives reshape catalyst-electrolyte interface for promoting Mechanistic studies reveal EDTA molecules...

Abstract Understanding the mechanisms and properties of various transport processes in electrolyte, porous electrode, at interface between electrode electrolyte plays a crucial role guiding improvement electrolytes, materials microstructures electrode. Nanoscale equilibrium nonequilibrium ion are substantially different to that bulk, which difficult observe from experiments directly. In this paper, we introduce no-equilibrium thermodynamics for electrodes or electrolyte–electrode interface....

Methanol steam reforming (MSR) is an ideal option of on-board hydrogen production for proton-exchange membrane fuel cell (PEMFC) vehicles. Conventional pellet catalysts are prone to physical breakage in frequent vibrations during vehicle movements, while current structural typically bear the disadvantages complex synthesis procedures and poor bonding catalyst substrate. Here, we synthesized copper mesh via a modified chronopotentiometry method. Commercial meshes served as electrodes...

The effect of ionic association on the structure and property confined electrolytes is investigated using classical density functional theory. We find that strongly affects ion distribution, surface force, screening behavior electrolytes. decay length ξ, which can describe high-concentration electrolytes, satisfies a scaling relationship ξ/λD ∼ (σ/λD)n, with λD being Debye σ representing diameter. n = 1.5 in nonassociation model, contributed by charge correlation, but 3 correlation. changes...

Abstract Ion transport through nanoporous materials is of fundamental importance for the design and development filtration membranes, electrocatalysts, electrochemical devices. Recent experiments have shown that ion across porous substantially different from in individual pores. Here, we report a new theoretical framework by combining molecular dynamics (MD) simulations at nanopore levels with effective medium approximation to include pore network properties. The enhanced combination strong...

Finding active and stable Pt-based catalysts for the oxygen reduction reaction (ORR) is key widespread deployment of fuel cells. While amorphous are renowned their superior catalytic activity, they often suffer from stability issues. Herein, a new structure reported based on pearl-chain-shaped PtTe nanowires with partial amorphism to achieve both high activity ORR. This catalyst retains its initial mass 90.9% after 150,000 cycles accelerated durability test (ADT), in contrast only 31.6%...

Abstract Due to the complexity of thermal effects in porous electrodes, process temperature rise supercapacitors is difficult be quantified by some simple but physically meaningful formulas. Here, stack‐electrode model applied investigate this issue both analytically and numerically. The numerical results show has three relaxation times, which divide that into four stages controlled heat generation (HG) or transfer (HT). Temperature first HG bulk phase, then electrodes mainly HT, finally all...

Abstract The composition of lithium‐ion battery electrode slurry determines its rheological properties, which have a significant impact on defect control during the coating process and final microstructure. Due to complexity composition, it is difficult determine quantitative relationship between formulation properties through experimental analysis. Herein, shear model based microscopic was proposed, predicted viscosities compositions were consistent with measurements. Furthermore,...

Lithium-ion battery packs are made by many batteries, and the difficulty in heat transfer can cause safety issues. It is important to evaluate thermal performance of a pack designing process. Here, multiscale method combining pseudo-two-dimensional model individual three-dimensional computational fluid dynamics employed describe generation pack. The effect arrangement on investigated. We discuss air-cooling with four arrangements which include one square arrangement, stagger two trapezoid...

Abstract The electrocatalytic nitrogen reduction reaction (NRR) for NH 3 synthesis is still far from being practical and competitive with the common Haber–Bosch process. rational design of highly selective NRR electrocatalyst therefore urgently needed, which requires a deep understanding both electrode–electrolyte interface mass transport reactants. Here, we develop theoretical framework that includes electric double layer (EDL), transport, kinetics. This allows us to evaluate roles...

The oxygen evolution reaction (OER) has been widely studied as an efficient process in energy conversion, yet the majority of studies focus on strategies to boost intrinsic activity catalyst, rather than considering enhancement its mass transfer ability. Herein, we produce NiFe-based OER electrocatalysts with rich vacancies and abundant transport channels by argon plasma-engraving strategy. Compared pristine NiFe, obtained best NiFe-plasma catalyst yields a 12.5-fold increased current...

High-purity lithium chloride is used in energy storage applications. A possible process to obtain it through the separation of Li+ and Mg2+ ions from salt-lake brines with a high mass ratio Mg2+/Li+. This can be achieved by nanofiltration not only important but also environmentally friendly. It requires deep understanding competitive transport Li+/Mg2+ nanoscale. expected theoretical approaches since remains challenge for experimental observation. Here, model combining classical density...

Porous Co 2 Cu 1 –S is developed into a promising bifunctional oxygen electrocatalyst via active-site electronic structure and morphology engineering. When applied as cathode in Zn–air battery, it exhibits high specific capacity robust stability.

The activation of dinitrogen is the key step in ammonia production, which usually conducted at transition-metal catalysts (Fe and Ru) with condition high temperatures pressures (400–500 °C 10–30 MPa). A recent development catalytic synthesis use potassium hydride-intercalated graphite (KxHyCz) as catalysts, can activate relatively moderate (250–400 1 MPa) without expensive transition metals. nanoconfinement alkali metal hydride between graphene layers plays an important role conversion...

Abstract Despite the advantage of high carbon utilization, CO 2 electroreduction (CO ER) in acid is challenged by competitive hydrogen evolution reaction (HER). Designing confined catalysts a promising strategy to suppress HER and boost ER, yet relationship between structure catalytic performance remains unclear, limiting rational design. Herein, using Cu O@mesoporous SiO core‐shell as well‐defined platform, volcano‐shaped found thickness mesoporous layer productivity multicarbon (C 2+ )...

The hydrocarbon fuels from the pyrolysis of lignocellulosic biomass can serve as a substitute for fossil fuels, but their commercialization is limited by high content oxygenates. Hydrodeoxygenation (HDO) lignin-derived compounds, such guaiacol, essential to produce high-quality biofuels, which requires deep understanding HDO mechanism at molecule scale. Herein, reactive force field molecular dynamics (ReaxFF-MD) simulations are used elucidate guaiacols on Ni nanoparticle surface. We find...

Association between cations and anions plays an important role in the interfacial structure of room-temperature ionic liquids (ILs) their electrochemical performance. Whereas great efforts have been devoted to investigating association effect on equilibrium properties ILs, a molecular-level understanding charging dynamics is yet be established. Here, we propose theoretical procedure combining reaction kinetics modified Poisson-Nernst-Planck (MPNP) equations study influences electrical double...