Recent advances in theoretical studies on ligand-controlled selectivity of nickel-and palladium-catalyzed cross-coupling reactions

Nickel-and palladium-catalyzed cross-coupling reactions have attracted wide attentions,while ligandcontrolled selectivity in these reactions are still elusive,and calculations can help obtain possible catalytic cycles to generate different products and provide insights into key factors of selectivity,which facilitates the development of new catalyst systems to control reaction selectivity.This review covers our efforts and some significant achievements from other groups on ligand-controlled reaction selectivity of coupling reactions,including introduction,computational methods,selectivity control by ligands in Niand Pd-catalyzed coupling reactions,as well as summary and future perspectives.     

Ni/Al2O3 catalysts for CO methanation: Effect of Al2O3 supports calcined at different temperatures

The correlation between phase structures and surface acidity of Al2O3 supports calcined at different temperatures and the catalytic performance of Ni/Al2O3 catalysts in the production of synthetic natural gas(SNG) via CO methanation was systematically investigated. A series of 10 wt% NiO/Al2O3 catalysts were prepared by the conventional impregnation method, and the phase structures and surface acidity of Al2O3 supports were adjusted by calcining the commercial γ-Al2O3 at different temperatures(600–1200 C). CO methanation reaction was carried out in the temperature range of 300–600 C at different weight hourly space velocities(WHSV = 30000 and 120000 mL·g-1h-1) and pressures(0.1 and 3.0 MPa). It was found that high calcination temperature not only led to the growth in Ni particle size, but also weakened the interaction between Ni nanoparticles and Al2O3 supports due to the rapid decrease of the specific surface area and acidity of Al2O3 supports. Interestingly, Ni catalysts supported on Al2O3 calcined at 1200 C(Ni/Al2O3-1200) exhibited the best catalytic activity for CO methanation under different reaction conditions. Lifetime reaction tests also indicated that Ni/Al2O3-1200 was the most active and stable catalyst compared with the other three catalysts, whose supports were calcined at lower temperatures(600, 800 and 1000 C). These findings would therefore be helpful to develop Ni/Al2O3 methanation catalyst for SNG production.     

Ni掺杂β-Ga2O3单晶的光、电特性研究

本文使用导模(EFG)法生长了Ni掺杂β-Ga₂O₃单晶，并通过粉末X射线衍射(PXRD)和劳厄衍射(Laue diffraction)分别验证了其晶体结构和晶体质量。进一步通过紫外-可见-近红外透过光谱及红外透过光谱研究了Ni²⁺掺杂对β-Ga₂O₃光学特性的影响，发现其(100)面的紫外截止边为252.9 nm,对应的光学带隙为4.74 eV。此外，阴极荧光(CL)光谱测试结果显示，Ni²⁺掺杂β-Ga₂O₃单晶在600～800 nm具有宽带近红外发光特性，有望拓宽β-Ga₂O₃单晶材料在宽带近红外方面的应用。     

Metal-organic framework derived NiCoP hollow polyhedrons electrocatalyst for pH-universal hydrogen evolution reaction

Hollow nanostructures have attracted increasing research interest in hydrogen evolution reaction owing to their unique structural features.Herein,Ni-Co mixed metal phosphide hollow and porous polyhedrons was successfully composited(expressed as NiCoP).Benefiting from the synergistic effects of ZIF-67 by doping Ni elements and the well-defined hollow and porous structure,the as-synthesized NiCoP hollow and porous polyhedrons exhibit better electrochemical properties and mechanical stability for hydrogen evolution reaction over a pH-universal range,with a small Tafel slopes of 72,101,176 mV/dec,and a low overpotential of 82,102,261 mV at a current density of 10 mA/cm² in 0.5 mol/L H₂SO₄,1 mol/L KOH and1 mol/L phosphate buffer solution(PBS).This general strategy can also be applied to fabricate other hollow cobalt-based phosphides and MOFs-derived materials for HER.     

Zr掺杂对MgB2超导微观结构和超导电性的影响

将Mg粉、Zr粉和B粉按比例混合获得Mg1-xZrxB2(x=5%10%和20%),压制成型后,在流通氩气的条件下于800℃烧结2h.利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)分析烧结后样品的显微结构和化学组成,采用差热分析(DTA)观察Zr掺杂对MgB2分解温度的影响,并用物性测试仪(PPMS)测试样品的超...     

Au-Ag合金纳米海胆结构用于农药残留的SERS检测

本文通过合成高密度尖端的Au-Ag合金纳米海胆,实现了对有机磷农药乙基对氧磷和有机氯农药γ-六六六的检测。首先合成Ag纳米颗粒,然后用L-多巴还原Ag纳米颗粒,最终形成高密度尖端Au-Ag合金纳米海胆结构。高密度尖端结构用作SERS基底,通过便携式拉曼光谱仪实现对有机磷农药乙基对氧磷和有机氯农药γ-六六六的检测,结果显示具有较高的灵敏度。该方法简单、方便、灵敏度高,有望实现对农药残留高灵敏的现场检测。     

Ni–Al composite hydroxides fabricated by cation–anion double hydrolysis method for high-performance supercapacitor

Chemical doping of nickel hydroxide with other cations(e.g. Al~(3+)) is an efficient way to enhance its electrochemical capacitive performances. Herein, a simple cation–anion(Ni~(2+)and AlO_2) double hydrolysis method was developed toward the synthesis of nickel–aluminum(Ni–Al) composite hydroxides. The obtained composite hydroxides possesses a porous structure, large surface area(121 m~2/g) and homogeneous element distribution. The electrochemical test shows that the obtained composite hydroxides exhibits a superior supercapacitive performances(specific capacitance of 1670F/g and rate capability of 87% from 0.5 A/g to 20 A/g) to doping-free nickel hydroxide(specific capacitance of 1227 F/g and rate capability of 47% from 0.5 A/g to 20 A/g). Moreover, the galvanostatic charge/discharge test displays that after 2000 cycles at large current density of 10 A/g, the composite hydroxides achieves a high capacitance retention of 98%, indicative of an excellent electrochemical cycleability.     

Catalytic carbon dioxide hydrogenation to methane: A review of recent studies

Recently,various efforts have been put forward on the development of technologies for the synthesis of methane from CO₂ and H₂,since it can offer a solution for renewable H₂ storage and transportation.In parallel,this reaction is considered to be a critical step in reclaiming oxygen within a closed cycle.Over the years,extensive fundamental research works on CO₂ methanation have been investigated and reported in the literatures.In this updated review,we present a comprehensive overview of recent publications during the last 3 years.Various aspects on this reaction system are described in detail,such as thermodynamic considerations,catalyst innovations,the influence of reaction conditions,overall catalytic performance,and reaction mechanism.Finally,the future development of CO₂ methanation is discussed.     

Mg含量及包套厚度对套管法Nb_3Al前驱线机械性能影响

制备具有优良机械性能Nb3Al前驱线是得到Nb3Al超导长线,继而制备实用化高场磁体的基础.本文选用Mg的含量分别为1.08wt.%和4.48wt.%的两种Al合金棒作为Al芯,不同壁厚的Cu管作为包套,利用套管法分别制备了两组不同芯丝数的Nb3Al前驱线.通过观察和测量两组前驱线芯丝形状和硬度的变化,以及对前驱线拉伸曲线和拉伸后断口形貌的分析,研究了影响前驱线机械性能的因素,提出了改善芯丝加工性能的方案.结果表明:Mg含量和Cu包套的壁厚对前驱线的机械性能有很大的影响,选择合适的Al合金棒以及包套,可以得到芯丝均匀,具备良好机械性能的Nb3Al前驱线,49芯前驱线经过扩散热处理后得到了15.7K的超导转变起始温度.     

中温固体氧化物燃料电池LaNi0.6Fe0.4O3-δ阴极材料的制备及性能表征

以硝酸镧、硝酸镍和硝酸铁为原料,柠檬酸作燃料低温燃烧合成固体氧化物燃料电池阴极材料LaNi0.6Fe0.4O3-δ.X射线衍射（XRD）图谱显示,600℃煅烧可形成单一的LaNi0.6 Fe0.4 O3-δ钙钛矿相.电子显微镜（TEM和SEM）照片看出,其颗粒尺寸〈100 nm.电池交流阻抗谱图表明,在1050℃烧结制...