Investigation on Non-covalent Complexes of Cyclodextrins with Li＋ in Gas Phase by Mass Spectrometry

To investigate the non-covalent interaction between cyclodextrins （CD） and lithium ion, a stoichiometry of α-CD, β-CD, heptakis（2,6-di-O-methyl）-β-CD （DM-β-CD）, or heptakis（2,3,6-tri-O-methyl）-β-CD （TM-β-CD） was mixed with lithium salt, respectively, and then incubated at room temperature for 10 min to reach the equilibrium. In posi- tive mode, the electrospray ionization mass spectrometry （ESI-MS） results demonstrated that lithium ion can conjugate to α-, β-, DM-β- or TM-β-CD and form 1：1 stoichiometric non-covalent complexes. The binding of the complexes was further confirmed by collision- induced dissociation. The dissociation constants Kdl of four complexes （Li＋α-CD, Li＋β- CD, Li＋DM-β-CD, and Li＋TM-β-CD） were determined by mass spectrometric titration. The results showed Kdl were 18.7, 26.7, 33.6, 30.5 μmol/L for the complexes of Li＋ with α-CD, β-CD, DM-β-CD, and TM-β-CD, respectively. Kdl for the Li＋ complexes of/3-CD is smaller than that of DM-β-CD due to its steric effect of the partial substituted -CH3. The Kdl for the Li＋ complexes of DM-β-CD is nearly in agreement with that of TM-β-CD, indicating Li＋ is more likely to locate in the small rim of DM-β-CD＇s hydrophobic cavity. The DFT results showed through electrostatic interaction, one Li＋ can strongly conjugate to four neighboring oxygen atoms. For the （α-CD＋Li）＋ complex, one Li＋ may also situate the small rim of α-CD＇s hydrophobic cavity to form a non-specific host-guest complex.

Effects of Gas Temperature Fluctuation on the Soot Formation Reactions

The effects of gas temperature fluctuations on soot formation and oxidation reactions are investigated numerically in a reacting flow. The instantaneous variations of soot mass fraction with time are obtained under the time-averaged gas temperature of 1500-1700 K. The simulation results show that the gas temperature fluctuation has obvious influence on the instantaneous processes of soot formation and oxidation. Within the present range of gas temperature, the gas temperature fluctuation results in generally lower soot mass fraction comparing to that without gas temperature fluctuation. The increase in the fluctuation amplitude of gas temperature leads to decrease in time-averaged soot mass fraction and increase in time-averaged soot particle number density.

光子静质量和光子结构

粒子物理标准模型(SM)认定,光子静质量mγ=0,已获普遍公认.弱、电统一用SUL(2)Ue(1)对称群表示,若mγ≠0,必将破坏Ue(1)对称.最近的一些理论研究和实验已显示mγ≠0的迹象.若然,它又一次动摇了标准模型的基础.

Influence of the symmetry energy on the balance energy of the directed flow

The influence of the density-dependent symmetry energy on the balance energy （Ebal） of directed flow from heavy ion collisions （HICs） at incident energies covered by INDRA and MSU experiments is studied, using the updated version of the ultra- relativistic quantum molecular dynamics （UrQMD） model, especially adapted to low-energy heavy ion collisions （HICs）. Four mass-symmetric reactions with total mass numbers between 192 and 394 are chosen for investigating the influence of the symmetry energy on the system-mass dependence of Eual. The results show that the uncertainty in the density dependence of the symmetry potential causes changes of Ebal of the order of several MeV, depending on the type of particle considered. The Ebal of neutrons from HICs is particularly sensitive to the density dependence of the symmetry potential energy, while the system-mass dependence of EbaI of Z = 1 particles is not.

Massless and Massive Particle-in-a-Box States in Single- and Bi-Layer Graphene

Electron transport through short, phase-coherent metal-graphene-metal devices occurs via resonant transmission through particle-in-a-box-like states defined by the atomically-sharp metal leads. We study the spectrum of particle-in-a-box states for single- and bi-layer graphene, corresponding to massless and massive two-dimensional （2-D） fermions. The density of states D as a function of particle number n shows the expected relationships D（n） -n1/2 for massless 2-D fermions （electrons in single-layer graphene） and D（n） -constant for massive 2-D fermions （electrons in bi-layer graphene）. The single parameters of the massless and massive dispersion relations are found, namely Fermi velocity vF = 1.1 × 10^6 m/s and effective mass m＊ = 0.032 me, where me, is the electron mass, in excellent agreement with theoretical expectations.

Unlocking solid-state conversion batteries reinforced by hierarchical microsphere stacked polymer electrolyte

Pursuing all-solid-state lithium metal batteries with dual upgrading of safety and energy density is of great significance. However, searching compatible solid electrolyte and reversible conversion cathode is still a big challenge. The phase transformation at cathode and Li deformation at anode would usually deactivate the electrode-electrolyte interfaces. Herein, we propose an all-solid-state Li-FeF_(3) conversion battery reinforced by hierarchical microsphere stacked polymer electrolyte for the first time. This gC_(3)N_(4) stuffed polyethylene oxide(PEO)-based electrolyte is lightweight due to the absence of metal element doping, and it enables the spatial confinement and dissolution suppression of conversion products at soft cathode-polymer interface, as well as Li dendrite inhibition at filler-reinforced anode-polymer interface. Two-dimensional(2 D)-nanosheet-built porous g-C_(3)N_(4) as three-dimensional(3 D) textured filler can strongly cross-link with PEO matrix and Li TFSI(TFSI: bistrifluoromethanesulfonimide) anion, leading to a more conductive and salt-dissociated interface and therefore improved conductivity(2.5×10^(-4) S/cm at 60℃) and Li+transference number(0.69). The compact stacking of highly regular robust microspheres in polymer electrolyte enables a successful stabilization and smoothening of Li metal with ultra-long plating/striping cycling for at least 10,000 h. The corresponding Li/LiFePO_(4) solid cells can endure an extremely high rate of 12 C. All-solid-state Li/FeF_(3) cells show highly stabilized capacity as high as 300 m Ah/g even after 200 cycles and of 200 m Ah/g at extremely high rate of 5 C, as well as ultra-long cycling for at least 1200 cycles at 1 C. High pseudocapacitance contribution(>55%) and diffusion coefficient(as high as10^(-12) cm^(2)/s) are responsible for this high-rate fluoride conversion. This result provides a promising solution to conversion-type Li metal batteries of high energy and safety beyond Li-S batteries, which are difficult to realize true "all-solid-state" due to the indispensable step of polysulfide solid-liquid conversion.

Positron Energy Levels in Cd-Based Semiconductors

Using the full potential linearized augmented plane wave FP-LAPW method within local density ap-proximation LDA, we have studied positron diffusion and surface emission in Cd-based semiconductors. This requires the calculation of electron and positron band structures. In the absence of experimental and theoretical data for CdX (X=S,Se,Te) we have treated the Si, which has been studied by several authors, as a test case. Predictive results on positron effective masses, deformation potentials, positron work functions, diffusion constants and positron mobilities are presented for CdX (X=S, Se, Te). Our calculated data for Si are compared with experimental and recent theoretical results.