Lithium-sulfur (Li-S) batteries have been recognized as promising substitutes for current energy-storage technologies owing to their exceptional advantage in energy density. The main challenge developing highly efficient and long-life Li-S is simultaneously suppressing the shuttle effect improving redox kinetics. Polar host materials desirable chemisorptive properties localize mobile polysulfide intermediates; however, role of electrical conductivity kinetics subsequent electrochemical...

A cooperative interface constructed by "lithiophilic" nitrogen-doped graphene frameworks and "sulfiphilic" nickel-iron layered double hydroxides (LDH@NG) is proposed to synergistically afford bifunctional Li S binding polysulfides, suppression of polysulfide shuttles, electrocatalytic activity toward formation lithium sulfides for high-performance lithium-sulfur batteries. LDH@NG enables high rate capability, long lifespan, efficient stabilization both sulfur electrodes.

Abstract The lithium–sulfur (Li–S) battery is a promising high‐energy‐density storage system. strong anchoring of intermediates widely accepted to retard the shuttle polysulfides in working battery. However, understanding intrinsic chemistry still deficient. Inspired by concept hydrogen bond, herein we focus on Li bond Li–S batteries through sophisticated quantum chemical calculations, combination with 7 nuclear magnetic resonance (NMR) spectroscopy. Identified as dipole–dipole interaction...

A new three-dimensional metal-organic framework (MOF) was synthesized by linking ditopic amino functionalized polyoxometalate [N(C4H9)4]3[MnMo6O18{(OCH2)3CNH2}2] with 4-connected tetrahedral tetrakis(4-formylphenyl)methane building units through imine condensation. The structure of this MOF, termed MOF-688, solved single crystal X-ray diffraction and found to be triply interpenetrated diamond-based dia topology. Tetrabutylammonium cations fill the pores balance charge anionic framework. They...

The cycling stability of high‐sulfur‐loading lithium–sulfur (Li–S) batteries remains a great challenge owing to the exaggerated shuttle problem and interface instability. Despite enormous efforts on design advanced electrodes electrolytes, issue raised from current collectors has been rarely concerned. This study demonstrates that rationally designing 3D carbonaceous macroporous collector is an efficient effective “two‐in‐one” strategy improve Li–S batteries, which highly versatile enable...

Self-healing capability helps biological systems to maintain their survivability and extend lifespan. Similarly, self-healing is also beneficial next-generation secondary batteries because high-capacity electrode materials, especially the cathodes such as oxygen or sulfur, suffer from shortened cycle lives resulting irreversible unstable phase transfer. Herein, by mimicking a process, fibrinolysis, we introduced an extrinsic healing agent, polysulfide, enable stable operation of sulfur...

Extended lifetime of lithium-ion batteries decreases economic costs and environmental burdens in achieving sustainable development. Cycle life tests are conducted on 18650-type commercial batteries, exhibiting nonlinear inconsistent degradation. The accelerated fade dispersion is proposed to be triggered by the evolution an additional potential anode during cycling as measured vs. Li+/Li. A method prolong battery cycle proposed, which lower cutoff voltage raised 3 V when reaches a capacity...

Abstract Lithium–sulfur (Li–S) batteries have been recognized as promising substitutes for current energy‐storage technologies owing to their exceptional advantage in energy density. The main challenge developing highly efficient and long‐life Li–S is simultaneously suppressing the shuttle effect improving redox kinetics. Polar host materials desirable chemisorptive properties localize mobile polysulfide intermediates; however, role of electrical conductivity kinetics subsequent...

Abstract Supramolecular materials, in which small organic molecules are assembled into regular structures by non‐covalent interactions, attract tremendous interests because of their highly tunable functional groups and porous structure. adsorbents expected to fully expose abundant adsorptive sites a dynamic framework. In this contribution, we introduced cucurbit[6]uril as supramolecular capsule for reversible storage/delivery mobile polysulfides lithium‐sulfur (Li‐S) batteries control...

Abstract The lithium–sulfur (Li–S) battery is a promising high‐energy‐density storage system. strong anchoring of intermediates widely accepted to retard the shuttle polysulfides in working battery. However, understanding intrinsic chemistry still deficient. Inspired by concept hydrogen bond, herein we focus on Li bond Li–S batteries through sophisticated quantum chemical calculations, combination with 7 nuclear magnetic resonance (NMR) spectroscopy. Identified as dipole–dipole interaction...

We report the theoretical and experimental investigation of two polyoxometalate-based metal–organic frameworks (MOFs), [(MnMo6)2(TFPM)]imine [(AlMo6)2(TFPM)]imine, as quasi-solid-state electrolytes. Classical molecular dynamics coupled with quantum chemistry grand canonical Monte Carlo are utilized to model corresponding diffusion ionic conduction in materials. Using different approximate levels ion behavior, primary mechanism was identified solvent-assisted hopping (>77%). Detailed static...

We report a synthetic strategy to link titanium-oxo (Ti-oxo) clusters into metal-organic framework (MOF) glasses with high porosity though the carboxylate linkage. A new series of MOF was synthesized by evaporation solution containing Ti-oxo Ti

The self-discharge of a lithium-sulfur cell decreases the shelf-life battery and is one bottlenecks that hinders its practical applications. New insights into both internal chemical reactions in system effective routes to retard for highly stable batteries are crucial design cells. Herein, with carbon nanotube/sulfur cathode lithium-metal anode lithium bis(trifluoromethanesulfonyl)imide/1,3-dioxolane/dimethyl ether electrolyte was selected as model investigate behavior. Both passivation...

Herein, we report the synthesis of a nitrone-linked covalent organic framework, COF-115, by combining N, N', N'''-(ethene-1, 1, 2, 2-tetrayltetrakis(benzene-4, 1-diyl))tetrakis(hydroxylamine) and terephthaladehyde via polycondensation reaction. The formation nitrone functionality was confirmed solid-state 13 C multi cross-polarization magic angle spinning NMR spectroscopy C-isotope-labeled COF-115 Fourier-transform infrared spectroscopy. permanent porosity evaluated through low-pressure N2 ,...

Abstract We report a synthetic strategy to link titanium‐oxo (Ti‐oxo) clusters into metal‐organic framework (MOF) glasses with high porosity though the carboxylate linkage. A new series of MOF was synthesized by evaporation solution containing Ti‐oxo Ti 16 O (OEt) 32 , linkers, and m ‐cresol. The formation linkages between linkers confirmed Fourier‐transform infrared (FT‐IR) spectroscopy. structural integrity within evidenced both X‐ray absorption near edge structure (XANES) 17 magic‐angle...

Abstract Supramolecular materials, in which small organic molecules are assembled into regular structures by non‐covalent interactions, attract tremendous interests because of their highly tunable functional groups and porous structure. adsorbents expected to fully expose abundant adsorptive sites a dynamic framework. In this contribution, we introduced cucurbit[6]uril as supramolecular capsule for reversible storage/delivery mobile polysulfides lithium‐sulfur (Li‐S) batteries control...

A 3D carbonaceous current collector assembled from millimeter-long CNTs is demonstrated to significantly enhance the cycling stability of lithium–sulfur batteries by J.-Q. Huang, Q. Zhang, and co-workers on page 6351. The origin such an enhancement high chemical intrinsic macroporous structure CNTs.

Summary An upscaling approach for multi‐porosity media is developed and demonstrated on a three‐scale porous medium. The medium problem analyzed using the so‐called MultiSPH approach, which sequential smooth particle hydrodynamics (SPH) solver at multiple scales. By this introduces drag forces SPH particles coarser resulting permeabilities obtained by are validated against available analytical solutions simple microstructures. For complex microstructures, detailed single‐scale simulations...