二氟甲烷分子3a1和2b2轨道的电子动量谱

借助电子动量谱学结合量子化学理论和其他方法可以给出轨道电子在整个空间的分布信息,由此给出电子运动的完备描述[1,2 ] .清华大学电子动量谱学实验室近几年已成功地对甲烷[3] 、异丁烷[4 ] 、环戊烷[5] 、二乙酰等[6 ] 分子的轨道电子动量分布进行了测量.我们利用第二代电子动量谱仪首次对CH2 F2 分子3a1和2b2 轨道的电子动量谱进行测量,并与理论计算结果作了比较.同时还计算了坐标空间和动量空间中电子在x - y平面的密度分布.电子动量谱学最基本的过程是(e ,2e)反应,即电子与靶粒子碰撞而发生的电离过程.而对于(e ,2e)反应,含有大量信…     

High efficiency palladium catalysts supported on multi-wall carbon nanotubes synthesized with 1,3-bis(diphenylphosphino) propane for ethanol oxidation

In this paper, a facile and effective method is introduced to prepare palladium electrocatalysts for the oxidation of ethanol in alkaline media. According to the transmission electron microscopy measurement, the as-prepared Pd nanoparticles with the average particle size of 2.5 nm are evenly deposited on the surface of the multi-wall carbon nanotubes by using 1,3-bis(diphenylphosphino) propane as a special additive. Electrochemical measurements demonstrate that the as-prepared catalyst exhibits good electrocatalytic activity and stability for the electrooxidation of ethanol.     

High‐Performance K–CO2 Batteries Based on Metal‐Free Carbon Electrocatalysts

Metal–CO₂ batteries have attracted much attention owing to their high energy density and use of greenhouse CO₂ waste as the energy source. However, the increasing cost of lithium and the low discharge potential of Na–CO₂ batteries create obstacles for practical applications of Li/Na–CO₂ batteries. Recently, earth‐abundant potassium ions have attracted considerable interest as fast ionic charge carriers for electrochemical energy storage. Herein, we report the first K–CO₂ battery with a carbon‐based metal‐free electrocatalyst. The battery shows a higher theoretical discharge potential (E^?=2.48 V) than that of Na–CO₂ batteries (E^?=2.35 V) and can operate for more than 250 cycles (1500 h) with a cutoff capacity of 300 mA h g^?1. Combined DFT calculations and experimental observations revealed a reaction mechanism involving the reversible formation and decomposition of P12₁/c1‐type K₂CO₃ at the efficient carbon‐based catalyst.     

任意挠曲输液管道瞬时变分原理

给出了弹性系统瞬时势能泛函的一般表达式，得到了其关于任意挠曲输液管道的具体表达式，根据瞬时最小势能原理建立了该结构的有限元动力方程，并首次推导出其离心力载荷公式，讨论了管道结构静平衡位置的发散流速的确定，最后，用简单的实验结果对理论分析作了验证。     

Synthesis and microwave dielectric properties of Ca<Subscript>0.6</Subscript>La<Subscript>0.267</Subscript>TiO<Subscript>3</Subscript> nanocrystalline powders by sol–gel method

Ca_0.6La_0.267TiO₃ nanocrystalline powders were successfully synthesized by the sol–gel method using PEG1000 as a dispersant in this study. The sinterability of the powders and the microwave dielectric properties of the ceramics were also investigated. The XRD diffraction result showed that pure Ca_0.6La_0.267TiO₃ powder with orthorhombic perovskite structure could be synthesized at 600 °C for 2 h without any detectable intermediate phase. The average grain size of the as-synthesized powder was as low as 35 nm. Compared with Ca_0.6La_0.267TiO₃ ceramics fabricated by conventional solid-state process, the bulk materials prepared by sintering as-prepared nanopowders performed better in densification and microwave dielectric properties. The ceramics sintered at 1,300 °C exhibited a higher relative density of 98.3% combined with a dielectric constant (ε _r ) of 120.3, a quality factor (Q × f) of 23,550 GHz and a temperature coefficient of resonant frequency (τ _f ) of +220.7 ppm/°C, respectively.     

Carbon-Based Electrocatalysts for Acidic Oxygen Reduction Reaction

Oxygen reduction reaction (ORR) is vital for clean and renewable energy technologies, which require no fossil fuel but catalysts. Platinum (Pt) is the best-known catalyst for ORR. However, its high cost and scarcity have severely hindered renewable energy devices (e.g., fuel cells) for large-scale applications. Recent breakthroughs in carbon-based metal-free electrochemical catalysts (C-MFECs) show great potential for earth-abundant carbon materials as low-cost metal-free electrocatalysts towards ORR in acidic media. This article provides a focused, but critical review on C-MFECs for ORR in acidic media with an emphasis on advances in the structure design and synthesis, fundamental understanding of the structure-property relationship and electrocatalytic mechanisms, and their applications in proton exchange membrane fuel cells. Current challenges and future perspectives in this emerging field are also discussed.     

One‐pot Synthesis of Nitrogen and Phosphorus Co‐doped Graphene and Its Use as High‐performance Electrocatalyst for Oxygen Reduction Reaction

In this study, N,P co‐doped graphene (NPG) was prepared by a one‐step pyrolysis using a mixture of graphene oxide and hexachlorocyclotriphosphazene (HCCP), in which HCCP was used as both the N and P source. Furthermore, it is shown that NPG electrodes, as efficient metal‐free electrocatalysts, have a high onset potential, high current density, and long‐term stability for the oxygen reduction reaction.     

Preparation of highly dispersed Pt-SnOx nanoparticles supported on multi-walled carbon nanotubes for methanol oxidation

To maximize the utilization of catalysts and thereby reduce the high price, a new strategy was developed to prepare highly dispersed Pt-SnO_x nanoparticles supported on 8-Hydroxyquinoline (HQ) functionalized multi-walled carbon nanotubes (MWCNTs). HQ functionalized MWCNTs (HQ-MWCNTs) provide an ideal support for improving the utilization of platinum-based catalysts, and the introduction of SnO_x to the catalyst prevents the CO poisoning effectively. The as-prepared catalysts are characterized by Transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. It is found that the HQ functionalization process preserves the integrity and electronic structure of MWCNTs, and the resulting Pt-SnO_x particles are well dispersed on the HQ-MWCNTs with an average diameter of ca. 2.2 nm. Based on the electrochemical properties characterized by cyclic voltammetry and chronoamperometry, the Pt-SnO_x/HQ-MWCNTs catalyst displays better electrocatalytic activity and stability for the methanol oxidation. It is worth mentioning that the forward peak current density of Pt-SnO_x/HQ-MWCNTs catalyst is ca. 1.9 times of that of JM commercial 20% Pt/C catalyst, which makes it the preferable catalyst for direct methanol fuel cells.