Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

Cathode plasma electrolytic deposition of Al2O3 coatings doped with SiC particles

Semiconductor particles doped Al₂O₃ coatings were prepared by cathode plasma electrolytic deposition in Al(NO₃)₃ electrolyte dispersed with SiC micro- and nano-particles (average particle sizes of 0.5–1.7?µm and 40?nm respectively). The effects of the concentrations and particle sizes of the SiC on the microstructures and tribological performances of the composite coatings were studied. In comparison with the case of dispersing with SiC microparticles, the dispersion of SiC nanoparticles in the coatings was more uniform. When the concentration of SiC nanoparticles was 5?g/L, the surface roughness of the composite coating was reduced by 63%, compared with that of the unmodified coating. Friction results demonstrated that the addition of 5?g/L SiC nanoparticles reduced the friction coefficient from 0.60 to 0.38 and decreased the wear volume under dry friction. The current density and bath voltage were measured to analyze the effects of SiC particles on the deposition process. The results showed that the SiC particles could alter the electrical behavior of the coatings during the deposition process, weaken the bombardment of the plasma, and improve the structures of the coatings.     

Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

Scanning tunneling spectroscopic study of monolayer 1T-TaS2 and 1T-TaSe2

Nano Research - The isostructural and isoelectronic transition-metal-dichalcogenides 1T-TaS2 and 1T-TaSe2 are layered materials with intricate electronic structures. Combining the molecular beam...     

Novel Bi-Doped Amorphous SnOx Nanoshells for Efficient Electrochemical CO2 Reduction into Formate at Low Overpotentials

Engineering novel Sn-based bimetallic materials could provide intriguing catalytic properties to boost the electrochemical CO₂ reduction. Herein, the first synthesis of homogeneous Sn_1−xBi_x alloy nanoparticles (x up to 0.20) with native Bi-doped amorphous SnO_x shells for efficient CO₂ reduction is reported. The Bi-SnO_x nanoshells boost the production of formate with high Faradaic efficiencies (>90%) over a wide potential window (−0.67 to −0.92 V vs RHE) with low overpotentials, outperforming current tin oxide catalysts. The state-of-the-art Bi-SnO_x nanoshells derived from Sn_0.80Bi_0.20 alloy nanoparticles exhibit a great partial current density of 74.6 mA cm⁻² and high Faradaic efficiency of 95.8%. The detailed electrocatalytic analyses and corresponding density functional theory calculations simultaneously reveal that the incorporation of Bi atoms into Sn species facilitates formate production by suppressing the formation of H₂ and CO.     

Achieving Rich and Active Alkaline Hydrogen Evolution Heterostructures via Interface Engineering on 2D 1T‐MoS2 Quantum Sheets

Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS₂ nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ sites, the fabricated 1T–MoS₂ QS/Ni(OH)₂ hybrid (quantum sized 1T–MoS₂ sheets decorated with Ni(OH)₂ via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm^?2, respectively, and has a low Tafel slope of 30 mV dec^?1 in 1 m KOH. So far, this is the best performance for MoS₂‐based electrocatalysts and the 1T–MoS₂ QS/Ni(OH)₂ hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm^?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions.     

济阳坳陷下古生界潜山油气藏特征及成藏模式

济阳坳陷下古生界潜山具有多样性、复杂性的特点，潜山差异性的形成演化、油气成藏主控因素和控藏模式不明确，严重制约了该区潜山油气勘探。在潜山分类的基础上，综合利用系统恢复、分类对比和典型解剖等方法，揭示了济阳坳陷下古生界不同类型潜山的形成演化过程和油气成藏主控因素差异性，分类建立了油气成藏模式。研究表明，济阳坳陷下古生界主要发育高位新盖侵蚀残丘潜山、中位古盖拉张断块潜山、中位新古盖拉张剪切断块潜山、中位中古盖挤压拉张断块潜山和低位古盖拉张滑脱断块潜山5种潜山类型。不同类型潜山的形成演化和油气成藏各具特色，其中，高位新盖侵蚀残丘潜山的发育受隆升、侵蚀作用控制，油气成藏主要受控于油源和盖层条件，表现为"单向供烃、砂体-不整合岩溶体联合输导、残丘控藏"的成藏模式；中位古盖拉张断块潜山的发育受掀斜、断裂作用控制，油气成藏主要受控于储集条件，表现为"单向供烃、顺向断层输导、反向断层控藏"的成藏模式；中位新古盖拉张剪切断块潜山的发育受反转、翘倾和走滑切割作用控制，油气成藏主要受控于输导条件，表现为"多源供烃、断溶体立体输导、断裂控藏"的成藏模式；中位中古盖挤压拉张断块潜山的形成受强烈挤压、拉张滑脱作用控制，油气成藏主要受控于储集条件，表现为"多源供烃、断缝体输导、断褶控藏"的成藏模式；低位古盖拉张滑脱断块潜山的形成受强烈拉张滑脱作用控制，油气成藏主要受控于输导条件，表现为"顶部供烃、断缝体输导、断裂控藏"的成藏模式。     

高精度薄壁钢套类零件制造工艺

薄壁钢套类零件是机械制造中常碰到的一类难加工零件,由于其不同的功能用途和典型结构特点,其制造有一定难度,在实际生产过程中,经常出现加工制造后的零件尺寸精度、形状精度、形位精度达不到使用及设计要求。本文较系统地阐述了薄壁钢套类零件的典型制造工艺方法以及在制造过程中的变形分析和应对措施。     

An Improved Transmission Scheme of TR-SWIPT Technique

Wireless Personal Communications - The traditional simultaneous wireless information and power transfer (SWIPT) system uses a part of signals to decode information, and the other part is used for...     

基于DSP的智能电源控制单元设计与实现

本文利用TI公司TMS320F28335芯片高效的浮点运算能力,结合片上丰富的外设,设计并实现了一种具有高可靠性的智能电源控制单元。该控制单元周期性地对各片上外设进行自检维护,完成多路负载通道控制、电压、电流的实时监控,并对故障进行指示、处理和上报,同时提供人机交互界面更新状态信息。经过验证,该控制单元工作稳定,具备良好的工程应用价值。