P2-type Na0.6[Mg(II)0.3Mn(IV)0.7]O2 as a new model material for anionic redox reaction

In this work, P2-Na_0.6[Mg(II)_0.3Mn(IV)_0.7] O₂ with inoxidizable elements (Na⁺, Mg²⁺ and Mn⁴⁺) except O^2- was synthesized and investigated, which exhibited high reversible capacity (~210 mAh/g) with highly reversible ARR characteristic.     

Research on PAN Nascent Fiber Interior Microstructure through Ultrasonic Etching and Ultrathin Sectioning

The interior microstructures of polyacrylonitrile nascent fibers is studied by the scanning electronic microscopy and the high-resolution transmission electron microscopy through ultrasonic etching and ultrathin sectioning. Due to the orientation and fold of molecular chains, the lamellae of 50–80 nm in thickness are formed. A high number of pores, ranging from dozens to two hundred nanometers in diameters exist between the lamellae, which result from residual solvent. The fibril structure is formed in the nascent fiber during the coagulation process, which are oriented along the fiber axis. An uneven tensile stress distribution leads to the formation of skin-core structures in the nascent fiber during the dry-jet wet spinning process.     

Comparison of Adsorption of Proteins at Di erent Sizes on Pristine Graphene and Graphene Oxide

Using all-atom molecular dynamics (MD) simulations, we have investigated the adsorption stability and conformation change of different proteins on the surface of pristine graphene (PG) and graphene oxide (GO). We find that: (ⅰ) with the cooperation of the electrostatic interactions between proteins and oxygen-containing groups, GO shows better adsorption stability than PG; (ⅱ) the peptide loses its secondary structure on both PG and GO surface, and the α-helix structure of the protein fragment is partially broken on PG surface, but is well preserved on GO surface, while the secondary structure of globular protein has no distinct change on both PG and GO surface. In general, GO presents better biocompatibility than PG. Our results are of significant importance to understand the interactions between proteins and PG/GO and the applications of PG/GO in biotechnology and biomedicine.     

Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics

Electronically non-adiabatic processes are essential parts of photochemical process, collisions of excited species, electron transfer processes, and quantum information processing. Various non-adiabatic dynamics methods and their numerical implementation have been developed in the last decades. This review summarizes the most significant development of mixed quantum-classical methods and their applications which mainly include the Liouville equation, Ehrenfest mean-field, trajectory surface hopping, and multiple spawning methods. The recently developed quantum trajectory mean-field method that accounts for the decoherence corrections in a parameter-free fashion is discussed in more detail.     

Uranyl ion adsorption studies on synthesized phosphoryl functionalised MWCNTs: a mechanistic approach

Nickel hydroxide solubility has been studied in this work in different cementitious systems. Our results indicate that once Glenium^® 27, cement superplasticizer admixture, is added to water and then mixed with cement, this polymeric material is stabilized and not released back to the aqueous solution, with negligible effects on the mobility of nickel. Contrary to that, when Glenium^® 27 is added directly in solution at high dosages, an important effect is observed on nickel behaviour. Thermodynamic calculations indicate that the effect of such component on Ni is likely the effect that other small organics could have over this element.

     

A new near-infrared fluorescent chemodosimeter for discrimination of sulfide from disulfide

Research on Chemical Intermediates - A new near-infrared fluorescent “turn-on” chemodosimeter (probe 1) based on dicyanomethylene-4H-chromene fluorophore for sulfide was developed....     

High performance of N,P co-doped metal-free carbon catalyst derived from ionic liquid for oxygen reduction reaction

Journal of Solid State Electrochemistry - One-pot strategy to fabricate N, P co-doping carbon was developed based on the functional ionic liquid (IL) as the N, P, and C precursors. The IL featuring...     

Salt‐Based Organic–Inorganic Nanocomposites: Towards A Stable Lithium Metal/Li10GeP2S12 Solid Electrolyte Interface

Solid‐state Li metal battery technology is attractive, owing to the high energy density, long lifespans, and better safety. A key obstacle in this technology is the unstable Li/solid‐state electrolyte (SSE) interface involving electrolyte reduction by Li. Herein we report a novel approach based on the use of a nanocomposite consisting of organic elastomeric salts (LiO‐(CH₂O)_n‐Li) and inorganic nanoparticle salts (LiF, ‐NSO₂‐Li, Li₂O), which serve as an interphase to protect Li₁₀GeP₂S₁₂ (LGPS), a highly conductive but reducible SSE. The nanocomposite is formed in situ on Li via the electrochemical decomposition of a liquid electrolyte, thus having excellent chemical and electrochemical stability, affinity for Li and LGPS, and limited interfacial resistance. XPS depth profiling and SEM show that the nanocomposite effectively restrained the reduction of LGPS. Stable Li electrodeposition over 3000 h and a 200 cycle life for a full cell were achieved.