Chemical potentials of charged hard-dumbbell fluids are obtained by Monte Carlo simulations using Widom's test-particle method, corresponding compressibility factors are achieved by integration of chemical potenti...Chemical potentials of charged hard-dumbbell fluids are obtained by Monte Carlo simulations using Widom's test-particle method, corresponding compressibility factors are achieved by integration of chemical potentials at different densities. A molecular thermodynamic model is also developed for these charged hard-dumbbell fluids where the residual Helmholtz function is composed of two terms: a reference term responsible for the charged hard spheres and a bonding contribution measuring the sticky interactions between positive and negative hard ions.Model predictions are in good agreement with simulation results.展开更多
A simple and efficient solution-based method for the synthesis of Pd-Ni bimetallic nanoparticles （NPs） has been developed. A series of Pd-Ni bimetallic NPs were readily achieved by reduction of PdC12 and Ni（acac）2...A simple and efficient solution-based method for the synthesis of Pd-Ni bimetallic nanoparticles （NPs） has been developed. A series of Pd-Ni bimetallic NPs were readily achieved by reduction of PdC12 and Ni（acac）2 （acac = acetyl- acetonate） in the presence of oleylamine （OAm）, oleic acid （OA） and benzyl alcohol. Furthermore, by using high-resolution transmission electron microscopy （HRTEM）, energy-dispersive spectrometry （EDS） mapping and X-ray diffraction （XRD）, we demonstrate that the as-prepared Pd-Ni bimetallic NPs have core-shell structures with a Pd-rich core and a Ni-rich shell. In addition, the as-obtained Pd-Ni bimetallic NPs with varying compositions show excellent catalytic activities in the Miyaura-Suzuki reaction. When the nickel molar percentage was 0.23 to 0.65, the conversion with the as-obtained Pd-Ni bimetallic catalysts was above 90%. It is believed that this strategy can be employed to produce a variety of other well-defined core-shell type multimetallic nanostructures.展开更多
基金Supported bv the National Natural Science Foundation of China (No.29736170, 29876006).
文摘Chemical potentials of charged hard-dumbbell fluids are obtained by Monte Carlo simulations using Widom's test-particle method, corresponding compressibility factors are achieved by integration of chemical potentials at different densities. A molecular thermodynamic model is also developed for these charged hard-dumbbell fluids where the residual Helmholtz function is composed of two terms: a reference term responsible for the charged hard spheres and a bonding contribution measuring the sticky interactions between positive and negative hard ions.Model predictions are in good agreement with simulation results.
文摘A simple and efficient solution-based method for the synthesis of Pd-Ni bimetallic nanoparticles （NPs） has been developed. A series of Pd-Ni bimetallic NPs were readily achieved by reduction of PdC12 and Ni（acac）2 （acac = acetyl- acetonate） in the presence of oleylamine （OAm）, oleic acid （OA） and benzyl alcohol. Furthermore, by using high-resolution transmission electron microscopy （HRTEM）, energy-dispersive spectrometry （EDS） mapping and X-ray diffraction （XRD）, we demonstrate that the as-prepared Pd-Ni bimetallic NPs have core-shell structures with a Pd-rich core and a Ni-rich shell. In addition, the as-obtained Pd-Ni bimetallic NPs with varying compositions show excellent catalytic activities in the Miyaura-Suzuki reaction. When the nickel molar percentage was 0.23 to 0.65, the conversion with the as-obtained Pd-Ni bimetallic catalysts was above 90%. It is believed that this strategy can be employed to produce a variety of other well-defined core-shell type multimetallic nanostructures.
