查看更多>>摘要：The Co(3)W3N particles as oxygen reduction reaction (ORR) catalyst with small size and high dispersibility was supported on N-doped GO via hydrothermal and ammonia nitriding heat treatment processes. The bonds of W-N, Co-N, pyridinic-N and C-N contribute positively to the oxygen reduction effect of the catalyst. More-over, the synergistic effect of catalyst and support leads to superior ORR performance with more positive half-wave potential and rapid oxygen reduction kinetics, compared to the Pt/C catalyst in alkaline media. The Co3W3N particles decorated on GO might be a promising alternative for non-Pt catalysts for oxygen reduction.
查看更多>>摘要：Nanofluids have innovative possessions that create them hypothetically worthwhile in numerous heat transportation uses, comprising apparatus chilling/vehicle thermal controlling, firewood cells, curative progressions, hybrid-energetic devices, internal freezer and chiller etc. Here the thermo-solutal possessions of convective conditions on nonlinear radiated magnetized Maxwell nanofluid with activation energy in the stagnation region. The homotopic process has been implemented for solutions. The physical parameters are plotted graphically. These outcomes reported that the radiation factor and Prandtl number decline; however, thermophoretic factor intensifies the temperature field of Maxwell nanofluid. Moreover, activation energy factor and mass Biot number exaggerate the concentration field. Additionally, the outcomes for Newtonian case with assessment of former prose are structured in this analysis.
Haakansson, Christian T.Corkish, Timothy R.Watson, Peter D.'t Hart, Damien B....
6页
查看更多>>摘要：A combined experimental and theoretical approach has been used to study the bromide-ethylene and iodide ethylene gas-phase complexes. Experimental anion photoelectron spectra show the electron stabilisation of the complexes to be 0.19 eV and 0.14 eV associated with the bromide and iodide complexes respectively. High-level CCSD(T) calculations predict two minima with respect to each halide; the halide either appends linearly to a single hydrogen of the ethylene molecule or appends orthogonally to the carbon-carbon double bond. The two structural motifs are found to be close in energy, with the difference in dissociation energy associated with both halides determined to be approximately 1.3 kJ mol(-1).
查看更多>>摘要：Hydrogen bond and pi-pi stacking are fundamental weak interactions which play unknown roles during the luminescent sensing processes of MOF sensors. Roles of them are uncovered by studying the nitro-explosive detecting mechanism of a typical MOF-based sensor. Photo-induced electron transfer from the MOF sensor to nitrobenzene is proved to induce the experimentally observed luminescence quenching. Hydrogen bond and pi-pi stacking between the analyte and sensor are proved to induce large orbital overlaps which facilitate the electron transfer process. Two pathways for the electron transfer process are put forward during which hydrogen bond and pi-pi stacking play key roles.
查看更多>>摘要：From the perspective of bond-order-length-strength correlation, we have formulated the thermally stiffened dielectric constant and refractive index for semiconductors. It is clarified that: (i) The dielectric constant and refractive index of semiconductors turn from non-linear to linear thermal stiffening at one third of its Debye temperature; (ii) The Debye temperature determines the width of the non-linear part and the reciprocal atomic cohesive energy determines the slope of linear part at high temperatures of the dielectric constant and refractive index curves.
查看更多>>摘要：A facile electrochemical deposition method synthesized Ni/Ni(OH)(2) nanocomposites with different interlayer anions (Cl-and SO42-). Materials characterization and electrochemical tests (XRD, SEM, TEM, CV, GCD, EIS, etc.) were carried out to study the effect of interlayer anions on the morphology and electrochemical performance. The results demonstrated that the Cl- intercalated Ni/Ni(OH)(2) nanocomposites exhibited higher specific capacitance and better cycle performance than SO42- interlayer anions. The Cl- intercalated Ni/Ni(OH)(2) nanocomposites show a high specific capacity of 1295 Fg(-1) at the current densities of 1 Ag-1 and excellent cycling stability with capacitance retention of 80.1% after 300 cycles.
查看更多>>摘要：The electronic structure and the possibility of laser cooling of LiAg and LiAu are investigated using ab initio method. The potential energy curves of Lambda - S and Omega states for LiAg and LiAu molecules are calculated in our work. The spectroscopic parameters of electronic state are evaluated and the values are in good agreement with available theoretical and experimental data. We also predicated the transition property of LiAg and LiAu molecules, which include transition dipole moments, Franck - Condon factors and radiative lifetimes. The calculated results show that the b(3)Pi(1) - X-1 Sigma(+)(0+) transition possess highly diagonal Franck-Condon factors (f(00) = 0.8918) and enough short radiative lifetime (3.0 x 10(-6) s), which could meet the criterias of laser cooling molecule. A cycling system for laser cooling LiAu molecule is proposed by three lasers at wavelengths around 338 and 344 nm with 2500 cycles for photon.
查看更多>>摘要：Ab initio and direct kinetics study of the CH3OCH3 + NO2 and CH3OC2H5 + NO2 reactions was performed over the temperature range of 300-1500 K. The geometries of all stationary points were optimized at the M06-2X/cc-pVTZ level of theory and the electronic energies were refined by the CCSD(T)/CBS method. The rate coefficients calculated by CVT theory including the small curvature tunneling (SCT) correction agreed well with the experimental data. Note that the H-abstraction from ethers to produce cis-HONO was the dominant channel at temperatures lower than 1000 K and the three channels to produce HNO2, trans-HONO and cis-HONO proceeded simultaneously.
NSTL
Elsevier