DFT study of SF decomposition species adsorption on Ni-doped InSe Monolayer: Insights into gas sensing performance.

This study employs first-principles calculations to investigate the gas sensing behavior of a Ni-doped indium selenide (InSe) monolayer toward four SF decomposition products: HS, SO, SOF, and SOF. Structural optimization, AIMD, and vibrational analyses confirm the thermal stability of the Ni-InSe monolayer. Adsorption results indicate strong chemisorption for HS and SO, weak chemisorption for SOF, and physisorption for SOF.

Enhanced Gas-Sensing Properties of Platinum-Doped InSe Monolayers for Lithium-Ion Battery Emission Monitoring: A Comprehensive DFT Analysis.

Thermal runaway in lithium-ion batteries generates toxic and flammable gases such as CO, CH, and CH, presenting severe safety risks. Early detection of these gases is essential for battery safety monitoring. In this study, the gas sensing performances of pristine and Pt-doped indium selenide (InSe) monolayers toward CO, CH, and CH were investigated using first-principles density functional theory (DFT).

Production of high-energy 6-Ah-level Li | |LiNiCoMnO multi-layer pouch cells via negative electrode protective layer coating strategy.

Stable lithium metal negative electrodes are desirable to produce high-energy batteries. However, when practical testing conditions are applied, lithium metal is unstable during battery cycling. Here, we propose poly(2-hydroxyethyl acrylate-co-sodium benzenesulfonate) (PHS) as negative electrode protective layer.

Surfactant Additives Containing Hydrophobic Fluorocarbon Chains and Hydrophilic Sulfonate Anion for Highly Reversible Zn Anode.

Aqueous zinc-ion batteries (AZIBs) show enormous potential as a large-scale energy storage technique. However, the growth of Zn dendrites and serious side reactions occurring at the Zn anode hinder the practical application of AZIBs. For the first time, we reported a fluorine-containing surfactant, i.

Approaching the voltage and energy density limits of potassium-selenium battery chemistry in a concentrated ether-based electrolyte.

Potassium-selenium (K-Se) batteries offer fairly high theoretical voltage (∼1.88 V) and energy density (∼1275 W h kg ). However, in practice, their operation voltage is so far limited to ∼1.

Mass-Producible, Quasi-Zero-Strain, Lattice-Water-Rich Inorganic Open-Frameworks for Ultrafast-Charging and Long-Cycling Zinc-Ion Batteries.

Low-cost and high-safety aqueous Zn-ion batteries are an exceptionally compelling technology for grid-scale energy storage. However, their development has been plagued by the lack of stable cathode materials allowing fast Zn -ion insertion and scalable synthesis. Here, a lattice-water-rich, inorganic-open-framework (IOF) phosphovanadate cathode, which is mass-producible and delivers high capacity (228 mAh g ) and energy density (193.

Circular RNA VMA21 ameliorates sepsis-associated acute kidney injury by regulating miR-9-3p/SMG1/inflammation axis and oxidative stress.

Accumulating evidence suggests that circular RNAs have the abilities to regulate gene expression during the progression of sepsis-associated acute kidney injury. Circular RNA VMA21 (circVMA21), a recent identified circular RNA, could reduce apoptosis to alleviate intervertebral disc degeneration in rats and protect WI-38 cells from lipopolysaccharide-induced injury. However, the role of circVMA21 in sepsis-associated acute kidney injury (sepsis-associated AKI) is unknown.

Safe, Low-Cost, Fast-Kinetics and Low-Strain Inorganic-Open-Framework Anode for Potassium-Ion Batteries.

A key challenge for potassium-ion batteries is to explore low-cost electrode materials that allow fast and reversible insertion of large-ionic-size K . Here, we report an inorganic-open-framework anode (KTiOPO ), which achieves a reversible capacity of up to 102 mAh g (307 mAh cm ), flat voltage plateaus at a safe average potential of 0.82 V (vs.

Highly reversible potassium-ion intercalation in tungsten disulfide.

Rechargeable potassium-ion batteries (PIBs) show promise beyond Li-ion technology in large-scale electrical-energy storage due to the abundance and low cost of potassium resources. However, the intercalation of large-size K generally results in irreversible structural degradation and short lifespan to the hosts, representing a major obstacle. Here, we report a new electrochemical K-intercalation host, tungsten disulfide (WS), which can store 0.

Concentrated electrolytes stabilize bismuth-potassium batteries.

Storing as many as three K-ions per atom, bismuth is a promising anode material for rechargeable potassium-ion batteries that may replace lithium-ion batteries for large-scale electrical energy storage. However, Bi suffers from poor electrochemical cyclability in conventional electrolytes. Here, we demonstrate that a 5 molar (M) ether-based electrolyte, the typical 1 M electrolyte, can effectively passivate the bismuth surface due to elevated reduction resistance.

Superacid-Surfactant Exchange: Enabling Nondestructive Dispersion of Full-Length Carbon Nanotubes in Water.

Attaining aqueous solutions of individual, long single-walled carbon nanotubes is a critical first step for harnessing the extraordinary properties of these materials. However, the widely used ultrasonication-ultracentrifugation approach and its variants inadvertently cut the nanotubes into short pieces. The process is also time-consuming and difficult to scale.

Li3PO4 Matrix Enables a Long Cycle Life and High Energy Efficiency Bismuth-Based Battery.

Bismuth is a lithium-ion battery anode material that can operate at an equilibrium potential higher than graphite and provide a capacity twice as high as that of Li4Ti5O12, making it intrinsically free from lithium plating that may cause catastrophic battery failure. However, the potential of bismuth is hampered by its inferior cyclability (limited to tens of cycles). Here, we propose an "ion conductive solid-state matrix" approach to address this issue.

Dual-template ordered mesoporous carbon/Fe2O3 nanowires as lithium-ion battery anodes.

Ordered mesoporous carbons (OMCs) are ideal host materials that can provide the desirable electrical conductivity and ion accessibility for high-capacity oxide electrode materials in lithium-ion batteries (LIBs). To this end, however, it is imperative to establish the correlations among material morphology, pore structure and electrochemical performance. Here, we fabricate an ordered mesoporous carbon nanowire (OMCNW)/Fe2O3 composite utilizing a novel soft-hard dual-template approach.

Blocking Oxidation Failures of Carbon Nanotubes through Selective Protection of Defects.

The selective growth of Al2 O3 islands over defect sites on the surface of carbon nanotubes significantly increases the oxidation breakdown threshold to 6.8 W cm(-2) , more than double than that of unprotected films. The elevated input power enables thermoacoustic emissions at loud audible sound pressure levels of 90.

Ammonium Laurate Surfactant for Cleaner Deposition of Carbon Nanotubes.

Experiments probing the properties of individual carbon nanotubes (CNTs) and those measuring bulk composites show vastly different results. One major issue limiting the results is that the procedures required to separate and test CNTs introduce contamination that changes the properties of the CNT. These contamination residues often come from the resist used in lithographic processing and the surfactant used to suspend and deposit the CNTs, commonly sodium dodecyl sulfate (SDS).

Interfacial oxygen stabilizes composite silicon anodes.

Silicon can store Li(+) at a capacity 10 times that of graphite anodes. However, to harness this remarkable potential for electrical energy storage, one has to address the multifaceted challenge of volume change inherent to high capacity electrode materials. Here, we show that, solely by chemical tailoring of Si-carbon interface with atomic oxygen, the cycle life of Si/carbon matrix-composite electrodes can be substantially improved, by 300%, even at high mass loadings.

Selective breakdown of metallic pathways in double-walled carbon nanotube networks.

Covalently functionalized, semiconducting double-walled carbon nanotubes exhibit remarkable properties and can outperform their single-walled carbon nanotube counterparts. In order to harness their potential for electronic applications, metallic double-walled carbon nanotubes must be separated from the semiconductors. However, the inner wall is inaccessible to current separation techniques which rely on the surface properties.

Hoop-strong nanotubes for battery electrodes.

The engineering of hollow nanostructures is a promising approach to addressing instabilities in silicon-based electrodes for lithium-ion batteries. Previous studies showed that a SiOx coating on silicon nanotubes (SiNTs) could function as a constraining layer and enhance capacity retention in electrodes with low mass loading, but we show here that similarly produced electrodes having negligible SiOx coating and significantly higher mass loading show relatively low capacity retention, fading quickly within the early cycles. We find that the SiNT performance can still be enhanced, even in electrodes with high mass loading, by the use of Ni functional coatings on the outer surface, leading to greatly enhanced capacity retention in a manner that could scale better to industrially relevant battery capacities.

A beaded-string silicon anode.

Interfacial instability is a fundamental issue in heterostructures ranging from biomaterials to joint replacement and electronic packaging. This challenge is particularly intriguing for lithium ion battery anodes comprising silicon as the ion storage material, where ultrahigh capacity is accompanied by vast mechanical stress that threatens delamination of silicon from the current collectors at the other side of the interface. Here, we describe Si-beaded carbon nanotube (CNT) strings whose interface is controlled by chemical functionalization, producing separated amorphous Si beads threaded along mechanically robust and electrically conductive CNT.

Covalently functionalized double-walled carbon nanotubes combine high sensitivity and selectivity in the electrical detection of small molecules.

Atom-thick materials such as single-walled carbon nanotubes (SWCNTs) and graphene exhibit ultrahigh sensitivity to chemical perturbation partly because all of the constituent atoms are surface atoms. However, low selectivity due to nonspecific binding on the graphitic surface is a challenging issue to many applications including chemical sensing. Here, we demonstrated simultaneous attainment of high sensitivity and selectivity in thin-film field effect transistors (TFTs) based on outer-wall selectively functionalized double-walled carbon nanotubes (DWCNTs).

PbPt(IO3)6(H2O): a new polar material with two types of stereoactive lone-pairs and a very large SHG response.

A new polar material containing two types of stereoactive lone-pairs has been synthesized. The unique parallel alignment of the stereoactive lone-pairs on Pb(2+) cations and the synergistic effect of two types of stereoactive lone-pairs on I(5+) and Pb(2+) cations make it exhibit a very large second-harmonic generation response of about 8 × KDP (KH(2)PO(4)).

Electronic structures and optical properties of Ca5(BO3)3F: a systematical first-principles study.

A first-principles study of the electronic structure, the linear optical properties and second-order NLO properties of calcium fluoroborate (Ca(5)(BO(3))(3)F, or CBF) crystal has been performed within density functional theory and the independent-particle approximation. The results indicate that the calculated birefringence Δn and the second-order susceptibilities are very coincident with the experimental measured values, and the χ((2)) curves show stronger anisotropy than the linear optical properties. Further analysis based on the spectral and spatial decomposition of χ((2)) reveals that the main sources of the SHG response of CBF are from the planar BO(3) groups (74%-77%) and Ca(2+) cations (23%-26%) and can be attributed to the interband electronic transition from the nonbonding O 2p states to the B 2p and Ca 4s4p states.

Explorations of new second-order nonlinear optical materials in the potassium vanadyl iodate system.

Four new potassium vanadyl iodates based on lone-pair-containing IO(3) and second-order Jahn-Teller distorted VO(5) or VO(6) asymmetric units, namely, α-KVO(2)(IO(3))(2)(H(2)O) (Pbca), β-KVO(2)(IO(3))(2)(H(2)O) (P2(1)2(1)2(1)), K(4)[(VO)(IO(3))(5)](2)(HIO(3))(H(2)O)(2)·H(2)O (P1), and K(VO)(2)O(2)(IO(3))(3) (Ima2) have been successfully synthesized by hydrothermal reactions. α-KVO(2)(IO(3))(2)(H(2)O) and β-KVO(2)(IO(3))(2)(H(2)O) exhibit two different types of 1D [VO(2)(IO(3))(2)](-) anionic chains. Neighboring VO(6) octahedra in the α-phase are corner-sharing into a 1D chain with the IO(3) groups attached on both sides of the chain in a uni- or bidentate bridging fashion, whereas those of VO(5) polyhedra in the β-phase are bridged by IO(3) groups into a right-handed helical chain with remaining IO(3) groups being grafted unidentately on both sides of the helical chain.

A series of new alkali metal indium iodates with isolated or extended anions.

Systematic explorations of new phases in the A(I)-In(III)-I(V)-O system by hydrothermal reactions led to five new compounds, namely, AIn(IO(3))(4) (A = Li, Na), Rb(3)In(IO(3))(6) and A(2)HIn(IO(3))(6) (A = Rb, Cs). The structure of AIn(IO(3))(4) (A = Li, Na) contains one-dimensional [In(IO(3))(4)](-) chains separated by Li(+) or Na(+) cations. In both compounds, each In(3+) cation is octahedrally coordinated by six IO(3)(-) anions, neighboring In(3+) cations are interconnected by bidentate bridging iodate anions into 1D chains.

Syntheses and crystal structures of a series of alkaline earth vanadium selenites and tellurites.

Six new novel alkaline-earth metal vanadium(V) or vanadium(IV) selenites and tellurites, namely, Sr(2)(VO)(3)(SeO(3))(5), Sr(V(2)O(5))(TeO(3)), Sr(2)(V(2)O(5))(2)(TeO(3))(2)(H(2)O), Ba(3)(VO(2))(2)(SeO(3))(4), Ba(2)(VO(3))Te(4)O(9)(OH), and Ba(2)V(2)O(5)(Te(2)O(6)), have been prepared and structurally characterized by single crystal X-ray diffraction analyses. These compounds exhibit six different anionic structures ranging from zero-dimensional (0D) cluster to three-dimensional (3D) network. Sr(2)(VO)(3)(SeO(3))(5) features a 3D anionic framework composed of VO(6) octahedra that are bridged by SeO(3) polyhedra.