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...     

一种新型回路电阻测试仪的研究与设计

针对传统低压回路电阻测试仪只能在被测设备停电时使用的一大限制,本文提出并设计了一种新型低压回路电阻测试仪。该仪器可在低压设备运行状态下对其回路电阻进行测量,在保证测量精度的前提下减少了设备停电率,大大提高了工作效率。     

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.     

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。     

植物基人造肉的营养特性与食用安全性

植物肉的出现为动物肉类食品供应短缺和养殖业环境污染问题带来希望。食品加工技术的快速发展弥补了植物基肉制品外观和口感的不足, 但其营养价值和安全性也应引起重视。本文综述了以植物蛋白为主要原料所制肉类替代品的营养价值, 包括植物肉中碳水化合物、蛋白质、脂肪、水分、维生素和矿物质的相对含量和营养性质。分析了植物肉在生产及食用过程中可能出现的物理、化学、生物因素在内的安全问题, 并探讨目前植物肉发展所存在的局限性与挑战, 以期为我国植物蛋白肉制品的研发与推广提供理论参考。     

Warm-white light performance of Dy3+, Eu3+: NaLa(WO4)2 phosphors excited with a 450-nm LED

Dy³⁺, Eu³⁺: NaLa(WO₄)₂ phosphors are successfully synthesized through the solid-state reaction technique. The phase-structure and morphology are measured via X-ray diffraction and energy dispersive spectrometry. The concentrations of Dy³⁺, Eu³⁺, La³⁺, and W⁶⁺ are measured via ICP. The absorption and excited spectra are presented, which indicate that a blue band ranging from 430 to 480 nm is suitable for excitation. Using a commercial blue LED with a wavelength of 450 nm as the excitation light source, emission spectra for samples with varying dopant concentration ratios of Dy³⁺ to Eu³⁺ are obtained, which show good tunable yellow and red emission. For the purpose of investigating white LED performance, CIE spectra and a white light photo are also presented. The results reveal that varying the dopant concentration ratio of Dy³⁺ to Eu³⁺ plays a key role in the warm-white performance. With increasing concentration of Eu³⁺, the correlated color temperature decreases from 4069 to 3172 K, which indicates good warm-white performance.     

响应面法优化艾叶挥发油的提取工艺及其抗氧化性能研究

以艾叶挥发油提取率为考核指标,采用单因素实验考察浸泡时间、料液比、提取时间等对艾叶挥发油提取率的影响,在此基础上,采用响应面法优化艾叶挥发油的共水蒸馏提取工艺,并通过紫外分光光度法测定艾叶挥发油对DPPH自由基的清除率来评价其抗氧化性能。结果表明,艾叶挥发油的最佳提取工艺条件为:浸泡时间1.5 h、料液比1∶10(g∶mL)、提取时间4.5 h,在此条件下,艾叶挥发油提取率最高,为0.83%。当艾叶挥发油浓度为80 mg·mL~(-1)时,DPPH自由基清除率最高,为39.12%。表明艾叶挥发油具有一定的抗氧化活性。