Alkali halide clusters are interesting model systems that can provide information about how crystal properties evolve. To study these properties, a high-resolution atmospheric pressure inlet time-of-flight mass spectr...Alkali halide clusters are interesting model systems that can provide information about how crystal properties evolve. To study these properties, a high-resolution atmospheric pressure inlet time-of-flight mass spectrometry （APi-TOF-MS） study of the sequential sodium halides series, C1-（NaC1）n and Br-（NaBr）m, has been reported, and the viability of the APi-TOF- MS equipped with an electrospray ionization source in determining cluster compositions has been demonstrated. The isotopic patterns were well resolved, as n=4 and 7 were determined to be the magic numbers for C1-（NaC1）n clusters, which were particularly abundant in the mass spectra. A global minimum search based on density functional theory enabled basin hopping yield the most stable structures for the mentioned series. The structures exhibit several distinct motifs which can be roughly categorized as linear chain, rock salt, and hexag- onal ring. This work provides an effective way to discover and elucidate the nonstoichiometry sodium halide clusters. These clusters possess very high vertical detachment energies and are generally called as superhalogens, which play important roles in chemistry because they are widely used in the synthesis of new classes of charge-transfer salts.展开更多
Alkali halides crystals have been the subject of intense research. High order crystalline one phase mixtures （high order： more that binary） studied by TL （thermoluminiscence technique） proved having persistent pe...Alkali halides crystals have been the subject of intense research. High order crystalline one phase mixtures （high order： more that binary） studied by TL （thermoluminiscence technique） proved having persistent peaks along the time after the radiation to which they are exposed. In general in alkali halide crystals the traps associated with highest recorded temperature peaks in the TL due to radiation damage have greater permanence in time too. These features are useful for dosimetric applications. In this work, temperature thermoluminescence glow peaks of ternary and quaternary mixed alkali halide crystals have been studied. The study has been focused on their high temperature glow peaks after being subjected to thermal treatments at 373, 573, and 673 K. The glow peaks of high temperature were isolated and studied 24 h and 48 h after irradiation. The parameters of the recombination processes associated to these peaks were obtained using a glow peak shape method. Orders of kinetics were higher than 1.0 and the activation energy greater than 1.2 eV. The results suggest that such materials have a high potential as dosimeter and energy storage materials.展开更多
In situ synchrotron X-ray diffraction experiments of SWCNT （single-walled carbon nanotube） electrode in alkali halide aqueous electrolyte at several applied potentials were performed, and the change in the diffracti...In situ synchrotron X-ray diffraction experiments of SWCNT （single-walled carbon nanotube） electrode in alkali halide aqueous electrolyte at several applied potentials were performed, and the change in the diffraction pattern of SWCNTs was observed. It was found that the position of the 100 diffraction peak does not change with applied potential while the peak intensity decreases with anion adsorption. It was concluded that the space inside the tube would be the important ion adsorption site for the well-gown SWCNT bundles.展开更多
The alkali halide crystals exhibit significant TL （thermoluminescence） properties when exposed to ionizing radiation. The defects in crystals can be produced in high concentration by means of chemical impurities, ra...The alkali halide crystals exhibit significant TL （thermoluminescence） properties when exposed to ionizing radiation. The defects in crystals can be produced in high concentration by means of chemical impurities, radiation, mechanical work and others processes. This study is concerned with the TL properties of quaternary mixtures of alkali halide crystals when they are irradiated with beta and gamma-rays. The samples were made mixing KCI, KBr, RbCI, RbBr salts doped with divalent europium （Eu2＋）, by the Czochralski method sintering at 400 ~C during 6 hours in a N2 atmosphere. The samples were exposed to beta and gamma rays. We present the TL glow curves, demonstrating that the nature of the defects in the crystals can be produced by trapping states and recombination mechanisms. The highest temperature TL curves are the most interesting due to possible applications in dosimetry and optical energy storage.展开更多
The synthesis of surface composition-tunable Pt-based octahedral nanoalloys is key to unravel the structureproperty relationship in fuel cells. Herein, we report a facile route to prepare composition-tunable Pt Cu oct...The synthesis of surface composition-tunable Pt-based octahedral nanoalloys is key to unravel the structureproperty relationship in fuel cells. Herein, we report a facile route to prepare composition-tunable Pt Cu octahedral nanoalloys by using halogen ions(Br-or/and I-) as composition modulators. Among these Pt Cu octahedral nanoalloys,Pt59 Cu41 octahedron exhibits the highest catalytic activity and durability in alkaline solution. The specific activity/mass activity of Pt59 Cu41 octahedron is 20.25 m A cm^-2/3.24 A mg^-1 Pt,which is 6.64/5.3 times higher than commercial Pt black in 0.5 mol L^-1 CH3 OH, respectively. In the case of using ethanol(0.5 mol L^-1) as fuel source, Pt59 Cu41 octahedron shows much better catalytic activity, that is 34.84 m A cm^-2/5.58 A mg^-1 Pt for specific activity/mass activity, which is 9.16/7.34 times higher than commercial Pt black, respectively. In situ Fourier transform infrared spectroscopy is employed to detect the intermediate species and products for methanol/ethanol oxidation reaction and a plausible mechanism is proposed to explain the improved activity and durability of Pt59 Cu41 octahedron toward methanol/ethanol oxidation in alkaline medium.展开更多
文摘Alkali halide clusters are interesting model systems that can provide information about how crystal properties evolve. To study these properties, a high-resolution atmospheric pressure inlet time-of-flight mass spectrometry （APi-TOF-MS） study of the sequential sodium halides series, C1-（NaC1）n and Br-（NaBr）m, has been reported, and the viability of the APi-TOF- MS equipped with an electrospray ionization source in determining cluster compositions has been demonstrated. The isotopic patterns were well resolved, as n=4 and 7 were determined to be the magic numbers for C1-（NaC1）n clusters, which were particularly abundant in the mass spectra. A global minimum search based on density functional theory enabled basin hopping yield the most stable structures for the mentioned series. The structures exhibit several distinct motifs which can be roughly categorized as linear chain, rock salt, and hexag- onal ring. This work provides an effective way to discover and elucidate the nonstoichiometry sodium halide clusters. These clusters possess very high vertical detachment energies and are generally called as superhalogens, which play important roles in chemistry because they are widely used in the synthesis of new classes of charge-transfer salts.
文摘Alkali halides crystals have been the subject of intense research. High order crystalline one phase mixtures （high order： more that binary） studied by TL （thermoluminiscence technique） proved having persistent peaks along the time after the radiation to which they are exposed. In general in alkali halide crystals the traps associated with highest recorded temperature peaks in the TL due to radiation damage have greater permanence in time too. These features are useful for dosimetric applications. In this work, temperature thermoluminescence glow peaks of ternary and quaternary mixed alkali halide crystals have been studied. The study has been focused on their high temperature glow peaks after being subjected to thermal treatments at 373, 573, and 673 K. The glow peaks of high temperature were isolated and studied 24 h and 48 h after irradiation. The parameters of the recombination processes associated to these peaks were obtained using a glow peak shape method. Orders of kinetics were higher than 1.0 and the activation energy greater than 1.2 eV. The results suggest that such materials have a high potential as dosimeter and energy storage materials.
文摘In situ synchrotron X-ray diffraction experiments of SWCNT （single-walled carbon nanotube） electrode in alkali halide aqueous electrolyte at several applied potentials were performed, and the change in the diffraction pattern of SWCNTs was observed. It was found that the position of the 100 diffraction peak does not change with applied potential while the peak intensity decreases with anion adsorption. It was concluded that the space inside the tube would be the important ion adsorption site for the well-gown SWCNT bundles.
文摘The alkali halide crystals exhibit significant TL （thermoluminescence） properties when exposed to ionizing radiation. The defects in crystals can be produced in high concentration by means of chemical impurities, radiation, mechanical work and others processes. This study is concerned with the TL properties of quaternary mixtures of alkali halide crystals when they are irradiated with beta and gamma-rays. The samples were made mixing KCI, KBr, RbCI, RbBr salts doped with divalent europium （Eu2＋）, by the Czochralski method sintering at 400 ~C during 6 hours in a N2 atmosphere. The samples were exposed to beta and gamma rays. We present the TL glow curves, demonstrating that the nature of the defects in the crystals can be produced by trapping states and recombination mechanisms. The highest temperature TL curves are the most interesting due to possible applications in dosimetry and optical energy storage.
基金supported by the National Natural Science Foundation of China (21571038 and 21361005)the Open Fund of the Key Lab of Organic Optoelectronics & Molecular Engineering (Tsinghua University)+1 种基金the Foundation for Excellent Young Scientific and Technological Talents of Guizhou Province (2019-5666)the Special Fund for Natural Science of Guizhou University (201801)
文摘The synthesis of surface composition-tunable Pt-based octahedral nanoalloys is key to unravel the structureproperty relationship in fuel cells. Herein, we report a facile route to prepare composition-tunable Pt Cu octahedral nanoalloys by using halogen ions(Br-or/and I-) as composition modulators. Among these Pt Cu octahedral nanoalloys,Pt59 Cu41 octahedron exhibits the highest catalytic activity and durability in alkaline solution. The specific activity/mass activity of Pt59 Cu41 octahedron is 20.25 m A cm^-2/3.24 A mg^-1 Pt,which is 6.64/5.3 times higher than commercial Pt black in 0.5 mol L^-1 CH3 OH, respectively. In the case of using ethanol(0.5 mol L^-1) as fuel source, Pt59 Cu41 octahedron shows much better catalytic activity, that is 34.84 m A cm^-2/5.58 A mg^-1 Pt for specific activity/mass activity, which is 9.16/7.34 times higher than commercial Pt black, respectively. In situ Fourier transform infrared spectroscopy is employed to detect the intermediate species and products for methanol/ethanol oxidation reaction and a plausible mechanism is proposed to explain the improved activity and durability of Pt59 Cu41 octahedron toward methanol/ethanol oxidation in alkaline medium.
