The effect of the hot-charging treatment on the performance of AB2 and AB5 hydrogen storage alloy electrodes was investigated. The result showed that the treatment can markedly improve the voltage plateau ratio (VPR),...The effect of the hot-charging treatment on the performance of AB2 and AB5 hydrogen storage alloy electrodes was investigated. The result showed that the treatment can markedly improve the voltage plateau ratio (VPR), the high rate discharge ability (HRDA), the diffusion coefficient of hydrogen DH and the discharge capacity of the AB2 hydrogen storage alloy electrode. The SEM analysis showed that the hot-charging treatment brings about a Ni-rich surface due to the dissolution of Zr oxides. It is also very helpful for the improvement of the kinetic properties of AB2 hydrogen storage alloy electrode because the microcracking of the surface results in fresh surface. This can be the basic modification treatment for NiMH battery used in electric vehicles (EVs) in the future. But for AB5 type alloys, the treatment has the disadvantage of impairing the comprehensive electrochemical properties, because the surface of the alloy may be corroded during the treatment. The mechanism of the surface modification of the electrode is also proposed.展开更多
Ab initio potential surface of oxidative addition of CH4 to coordinatively unsaturated PtC12 is presented. The electron correlation has a big effect on the transition state and activation energy.
In this letter ab initio electronic structure calculations are performed for extensive geometries Of CS2. A newly written program is used to fit the computed energies into the Sorbie-Murrel function, whose contour plo...In this letter ab initio electronic structure calculations are performed for extensive geometries Of CS2. A newly written program is used to fit the computed energies into the Sorbie-Murrel function, whose contour plots are illustrated.展开更多
In this study, we thoroughly examined the impact of heat treatments and hole count (p) on the properties of LnSrBaCu<sub>3</sub>O<sub>6+z</sub> (Ln = Eu, Sm, Nd) compounds. We focused on prepar...In this study, we thoroughly examined the impact of heat treatments and hole count (p) on the properties of LnSrBaCu<sub>3</sub>O<sub>6+z</sub> (Ln = Eu, Sm, Nd) compounds. We focused on preparation, X-ray diffraction with Rietveld refinement, AC susceptibility, DC resistivity measurements, and heat treatment effects. Two heat treatment types were applied: oxygen annealing [O] and argon annealing followed by oxygen annealing [AO]. As the rare earth Ln’s ionic radius increased, certain parameters notably changed. Specifically, c parameter, surface area S, and volume V increased, while critical temperature Tc and holes (p) in the CuO<sub>2</sub> plane decreased. The evolution of these parameters with rare earth Ln’s ionic radius in [AO] heat treatment is linear. Regardless of the treatment, the structure is orthorhombic for Ln = Eu, tetragonal for Ln = Nd, orthorhombic for Ln = Sm [AO], and pseudo-tetragonal for Sm [O]. The highest critical temperature is reached with Ln = Eu (Tc [AO] = 87.1 K). Notably, for each sample, Tc [AO] surpasses Tc [O]. Observed data stems from factors including rare earth ionic size, improved cationic and oxygen chain order, holes count p in Cu(2)O<sub>2</sub> planes, and in-phase purity of [AO] samples. Our research strives to clearly demonstrate that the density of holes (p) within the copper plane stands as a determinant impacting the structural, electrical, and superconducting properties of these samples. Meanwhile, the other aforementioned parameters contribute to shaping this density (p).展开更多
文摘The effect of the hot-charging treatment on the performance of AB2 and AB5 hydrogen storage alloy electrodes was investigated. The result showed that the treatment can markedly improve the voltage plateau ratio (VPR), the high rate discharge ability (HRDA), the diffusion coefficient of hydrogen DH and the discharge capacity of the AB2 hydrogen storage alloy electrode. The SEM analysis showed that the hot-charging treatment brings about a Ni-rich surface due to the dissolution of Zr oxides. It is also very helpful for the improvement of the kinetic properties of AB2 hydrogen storage alloy electrode because the microcracking of the surface results in fresh surface. This can be the basic modification treatment for NiMH battery used in electric vehicles (EVs) in the future. But for AB5 type alloys, the treatment has the disadvantage of impairing the comprehensive electrochemical properties, because the surface of the alloy may be corroded during the treatment. The mechanism of the surface modification of the electrode is also proposed.
文摘Ab initio potential surface of oxidative addition of CH4 to coordinatively unsaturated PtC12 is presented. The electron correlation has a big effect on the transition state and activation energy.
文摘In this letter ab initio electronic structure calculations are performed for extensive geometries Of CS2. A newly written program is used to fit the computed energies into the Sorbie-Murrel function, whose contour plots are illustrated.
文摘In this study, we thoroughly examined the impact of heat treatments and hole count (p) on the properties of LnSrBaCu<sub>3</sub>O<sub>6+z</sub> (Ln = Eu, Sm, Nd) compounds. We focused on preparation, X-ray diffraction with Rietveld refinement, AC susceptibility, DC resistivity measurements, and heat treatment effects. Two heat treatment types were applied: oxygen annealing [O] and argon annealing followed by oxygen annealing [AO]. As the rare earth Ln’s ionic radius increased, certain parameters notably changed. Specifically, c parameter, surface area S, and volume V increased, while critical temperature Tc and holes (p) in the CuO<sub>2</sub> plane decreased. The evolution of these parameters with rare earth Ln’s ionic radius in [AO] heat treatment is linear. Regardless of the treatment, the structure is orthorhombic for Ln = Eu, tetragonal for Ln = Nd, orthorhombic for Ln = Sm [AO], and pseudo-tetragonal for Sm [O]. The highest critical temperature is reached with Ln = Eu (Tc [AO] = 87.1 K). Notably, for each sample, Tc [AO] surpasses Tc [O]. Observed data stems from factors including rare earth ionic size, improved cationic and oxygen chain order, holes count p in Cu(2)O<sub>2</sub> planes, and in-phase purity of [AO] samples. Our research strives to clearly demonstrate that the density of holes (p) within the copper plane stands as a determinant impacting the structural, electrical, and superconducting properties of these samples. Meanwhile, the other aforementioned parameters contribute to shaping this density (p).
