加强型Bi-2212超导股线有限元拉伸性能分析

为探究加强型Bi-2212超导股线的力学性能以及不锈钢包带对超导股线力学性能的影响，运用Ansys软件建立加强型Bi-2212超导股线的三维模型，采用有限元分析方法，对其机械结构进行仿真，模拟高温高压热处理后轴向受拉形变量和应力应变分布情况。仿真结果显示，在同样施加100 N拉力的情况下，与超导原线（Bi-2212超导线）相比，密绕Ni₈₀Cr₂₀包带后的加强型Bi-2212超导股线轴向受拉形变程度减小，约10%;应力应变均降低，约30%。采用Ni₈₀Cr₂₀作为外包带制成的加强型Bi-2212超导股线力学性能显著，是未来超导线发展方向之一。     

Preparation of LiNi0.5Mn1.5O4 cathode materials by using different-sized Mn3O4 nanocrystals as precursors

Journal of Solid State Electrochemistry - High-voltage LiNi0.5Mn1.5O4 with a spinel structure is considered as important cathode materials for high-energy density Li-ion batteries (LIBs). In this...     

Analysis of deuterated water contents using FTIR bending motion

Journal of Radioanalytical and Nuclear Chemistry - An extensive series of evaluations have been performed as part of an IAEA coordinated research project to study a set of nuclear reactions that...     

Construction of a novel ZnCo2O4/Bi2O3 heterojunction photocatalyst with enhanced visible light photocatalytic activity

A novel ZnCo₂O₄/Bi₂O₃ heterojunction photocatalyst was prepared via balling method. The enhanced photocatalytic activity is mainly attributed to the broad photoabsorption and low recombination rate of photogenerated electron-hole pairs, which is driven by the photogenerated potential difference formed at the ZnCo₂O₄/Bi₂O₃ heterojunction interface.     

Enhanced 1T′-Phase Stabilization and Chemical Reactivity in a MoTe2 Monolayer through Contact with a 2D Ca2N Electride

Among the widely studied 2D transition metal dichalcogenides (TMDs), MoTe₂ has attracted special interest for phase-change applications due to its small 2H-1T′ energy difference, yet a large scale phase transition without structural disruption remains a significant challenge. Recently, an interesting long-range phase engineering of MoTe₂ has been realized experimentally by Ca₂N electride. However, the interface formed between them has not been well understood, and moreover, it remains elusive how the presence of Ca₂N would affect the basal plane reactivity of MoTe₂. To address this, we performed density functional theory (DFT) calculations to investigate the potential of tuning the phase stability and chemical reactivity of a MoTe₂ monolayer via interacting with Ca₂N to form a van der Walls heterostructure. We found that the contact nature at the 2H-MoTe₂/Ca₂N interface is Schottky-barrier-free, allowing for the spontaneous electron transfer from Ca₂N to 2H-MoTe₂ to make it strongly n-type doped. Moreover, Ca₂N doping significantly lowers the energy of 1T′-MoTe₂ and dynamically triggers the 2H-to-1T′ transformation. The Ca₂N-induced phase modulation can also be applied to tune the phase energetics of MoS₂ and MoSe₂. Furthermore, using H adsorption as the testing ground, we also find that the H binding on the basal plane of MoTe₂ is enhanced after forming heterostructure with Ca₂N, potentially providing basis for surface modification and other related catalytic applications.     

Insight into room-temperature catalytic oxidation of NO by CrO2(110): A DFT study

The first-principles DFT calculations together with microkinetic analysis reveal the complex catalytic mechanism of low-content NO oxidation on CrO₂(110) at room temperature. It quantitatively makes clear that CrO₂(110) can exhibit considerable activity with the Mars-van-Krevelen mechanism preferred, and the nitrate species serves as the key poisoning species.     

Advances in Enantioselective Construction of Trifluoromethoxylated Stereogenic Carbon Centers

In recent years,the trifluoromethoxy(OCF3)functional group has received extensive attention in phar-maceuticals,agrochemicals and material sciences.However,the methods for the enantioselective syn-thesis of trifluoromethoxylated stereogenic carbon centers are rare owing to the nature of easy decom-position of OCF3 anion and limited OCF3 reagent.And the asymmetric trifluoromethoxylation will be a hot research topic in near future due to the unique biological properties of a single isomer.This article mainly focuses on the recent advances in the enantioselectiveconstruction of trifluoromethoxylated stereogenic carbon centers.     

Differences of thermal decomposition behaviors and combustion properties between CL-20-based propellants and HMX-based solid propellants

Journal of Thermal Analysis and Calorimetry - Differences of thermal decomposition characteristics and combustion properties between CL-20-based propellants and HMX-based propellants were...