Metal Single-Site Molecular Complex–MXene Heteroelectrocatalysts Interspersed Graphene Nanonetwork for Efficient Dual-Task of Water Splitting and Metal–Air Batteries

Development of multifunctional electrocatalysts with high efficiency and stability is of great interest in recent energy conversion technologies. Herein, a novel heteroelectrocatalyst of molecular iron complex (Fe_MC)-carbide MXene (Mo₂TiC₂T_x) uniformly embedded in a 3D graphene-based hierarchical network (GrH) is rationally designed. The coexistence of Fe_MC and MXene with their unique interactions triggers optimum electronic properties, rich multiple active sites, and favorite free adsorption energy for excellent trifunctional catalytic activities. Meanwhile, the highly porous GrH effectively promotes a multichannel architecture for charge transfer and gas/ion diffusion to improve stability. Therefore, the Fe_MC–MXene/GrH results in superb performances towards oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) in alkaline medium. The practical tests indicate that Zn/Al–air batteries derived from Fe_MC–MXene/GrH cathodic electrodes produce high power densities of 165.6 and 172.7 mW cm⁻², respectively. Impressively, the liquid-state Zn–air battery delivers excellent cycling stability of over 1100 h. In addition, the alkaline water electrolyzer induces a low cell voltage of 1.55 V at 10 mA cm⁻² and 1.86 V at 0.4 A cm⁻² in 30 wt.% KOH at 80 °C, surpassing recent reports. The achievements suggest an exciting multifunctional electrocatalyst for electrochemical energy applications.     

Epitaxial growth and thermal-conductivity limit of single-crystalline Bi2Se3/In2Se3 superlattices on mica

Nano Research - Thermal transport in superlattices is governed by various phonon-scattering processes. For extracting the phonon-scattering contribution of hetero-interfaces in chalcogenide...     

Monitoring the Dynamic Process of Formation of Plasmonic Molecular Junctions during Single Nanoparticle Collisions

The capability to study the dynamic formation of plasmonic molecular junction is of fundamental importance, and it will provide new insights into molecular electronics/plasmonics, single‐entity electrochemistry, and nanooptoelectronics. Here, a facile method to form plasmonic molecular junctions is reported by utilizing single gold nanoparticle (NP) collision events at a highly curved gold nanoelectrode modified with a self‐assembled monolayer. By using time‐resolved electrochemical current measurement and surface‐enhanced Raman scattering spectroscopy, the current changes and the evolution of interfacial chemical bonding are successfully observed in the newly formed molecular tunnel junctions during and after the gold NP “hit‐n‐stay” and “hit‐n‐run” collision events. The results lead to an in‐depth understanding of the single NP motion and the associated molecular level changes during the formation of the plasmonic molecular junctions in a single NP collision event. This method also provides a new platform to study molecular changes at the single molecule level during electron transport in a dynamic molecular tunnel junction.     

我国超高分子质量聚乙烯纤维的检测手段及发展现状

根据国内主要超高分子质量聚乙烯纤维制造商产品的测试结果,论述了国产该纤维的主要性能及其与国外同类产品的质量差距,论述了目前我国各生产厂家及相关检测机构在强度、模量、断裂伸长、耐磨性、蠕变率、分子质量等纤维主要性能测试中存在的问题,提出了解决建议,同时指出了我国在超高分子质量聚乙烯纤维应用方面与国外的差距．     

Observation and computer simulation of multicomponent chemical short-range order （MCSRO） for the bulk metallic glasses

The atomic configuration of chemical short-range order (CSRO) for the Zr-base metallic glasses was investigated by using nano-diffraction and high resolution transmission electronic microscopy (HRTEM) technology with a beam size of 0.5 rim. It is illustrated that the pattern of atomic configuration of CSRO might have various compound counterparts because of the chemical interaction of bonding atoms. Some atomic configuration of MCSRO is similar to the icosahedral structure with 10-fold symmetry of very weak spots. In deed, the nano-beam technology could clearly detect the evolution of atomic configuration in nanometer scale during the transformation from the metallic melt to the primary crystallization. The local atomic configuration of CSRO is also investigated by molecular dynamics simulation (MD) for the Zr2Ni compound in a wider temperature range. The CSRO in the melt could be pictorially demonstrated as distorted coordination polyhedron of the compound structure and/or the structure similar to cubo-octahedron analogs. The MD simulation illustrates that the atomic packing of long-range order disappears just above the melting point, but the chemical interaction of bonding atoms still exists that leads to form the various CSRO with the atomic configuration similar to stable or metastable unit cell of Zr2Ni compound. The icosahedral polyhedron became more abundance as the overheating temperature was raised.     

60m~3/h变压吸附制氮设备改造

介绍了60m3/h变压吸附制氮设备改造前存在的主要问题、改造的主要措施及改造前后设备的性能比较,分析了改造中的一些体会和需注意的事项。     

升温速率对金属熔化和过热的影响

采用分子动力学方法和QSC(Quantum Sutton-Chen)力场研究了升温速率对金属银和金属铅的熔化和过热行为的影响。研究结果表明，升温速率对金属银和铅的熔化和过热行为有很大影响，随着升温速率的升高，金属的熔点有所升高。高的升温速率会导致金属体系内部无序化程度增加，降低了熔化相变的能垒。升温速率导致的银和铅完美晶体的过热极限分别为1450K和800K。     

有机溶剂分离膜结构和膜材料设计理论研究

综述现存有机溶剂分离膜的不同结构特点，分析膜结构对溶剂渗透性能的影响．围绕溶剂渗透过程的溶解-扩散机理模型，重点阐述预测溶解性的溶液热力学理论和计算扩散系数的自由体积理论，强调化工热力学理论对新型溶剂分离膜开发的指导作用．在此基础上，提出膜材料和膜结构相互协调，利用物性推算法进行有机溶剂分离膜材料设计的思想．     

Lennard-Jones Viscosities in Wide Ranges of Temperature and Density: Fast Calculations Using a Steady–State Periodic Perturbation Method

A method for fast calculation of viscosity from molecular dynamics simulation is revisited. The method consists of using a steady-state periodic perturbation. A methodology to choose the amplitude of the external perturbation, which is one of the major practical issues in the original technique of Gosling et al. [Mol. Phys. 26: 1475 (1973)] is proposed. The amplitude of the perturbation required for fast caculations and the viscosity values for wide ranges of temperature and density of the Lennard-Jones (LJ) model fluid are reported. The viscosity results are in agreement with recent LJ viscosity calculations. Additionally, the simulations demonstrate that the proposed approach is suitable to efficiently generate viscosity data of good quality.     

Molecular dynamics studies of atomic-scale tribological characteristics for different sliding systems

A slider-slab sliding model for hard-to-soft and soft-to-soft sliding systems with abrasive and non-abrasive wear conditions is used to investigate atomic-scale friction. The molecular dynamics simulation uses the Morse potential to calculate interatomic forces between atoms. Separation distance between the slider and the slab is changed to simulate repulsive and attractive interactive force fields exerted on interface between two sliding components. Effects of the interaction potential parameters on the sliding friction are investigated. The relationship of frictional force, normal force and temperature rise of the slider and the slab during sliding are established. Comparison of the hard-to-soft and the soft-to-soft sliding system are carried out and shows different tribological phenomena.