摘要：The selective hydrogenation of quinolines to 1,2,3,4-tetrahydroquinolines(py-THQ) and its derivatives has attracted a considerable amount of attention as they show great versatility in many pharmaceuticals, agrochemicals, and fine chemicals. Over the past few decades, great breakthroughs have been achieved in the controlled synthesis of efficient heterogeneous catalysts used for the selective hydrogenation of functionalized quinoline compounds, which allow one to correlate the structure-property relationships. In this review, we will summarize the recent significant progress achieved in this field covering the synthetic strategies, microstructural and chemical features, catalytic performance, and internal relationships. State-of-the-art noble metal-based single(Pd, Pt, Ru, Rh, Ir and Au) and bi/multi-metallic catalysts(RuCu, AuPd, and PdNi) are first introduced, followed by a summary of earth-abundant metal-based catalysts(Co, Fe, Ni, and Cu). Finally, the dehydrogenation of N-heterocycles is introduced to form a reversible hydrogenation/dehydrogenation system for H2 storage, which can be employed in a liquid organic hydrogen system. Furthermore, the reaction mechanism and future research direction in these areas are also discussed. This review will deepen our understanding of the catalytic transformation of N-heterocycles and provide guidance for researchers on the rational design of catalysts.

摘要：Electrocatalytic ammonia synthesis under mild conditions is an attractive and challenging process in the earth’s nitrogen cycle,which requires efficient and stable catalysts to reduce the *** N2 activation and reduction overpotential of different Ti3C2O2-supported transition metal(TM)(Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Mo,Ru,Rh,Pd,Ag,Cd,and Au)single-atom catalysts have been analyzed in terms of the Gibbs free energies calculated using the density functional theory(DFT).The end-on N2 adsorption was more energetically favorable,and the negative free energies represented good N2 activation performance,especially in the presence Fe/Ti3C2O2(﹣0.75 eV).The overpotentials of Fe/Ti3C2O2,Co/Ti3C2O2,Ru/Ti3C2O2,and Rh/Ti3C2O2 were 0.92,0.89,1.16,and 0.84 eV,*** potential required for ammonia synthesis was different for different TMs and ranged from 0.68 to 2.33 *** possible potential-limiting steps may be involved in the process:(i)hydrogenation of N2 to*NNH and(ii)hydrogenation of*NH2 to *** catalysts can change the reaction pathway and avoid the traditional N–N bond-breaking *** also simplifies the understanding of the relationship between the Gibbs free energy and overpotential,which is a significant factor in the rational designing and large-scale screening of catalysts for the electrocatalytic ammonia synthesis.

摘要：The nitrogen reduction reaction(NRR)using new and efficient electrocatalysts is a promising al‐ternative to the traditional Haber‐Bosch ***,it remains a challenge to design efficient catalysts with improved catalytic ***,various O‐functional MXenes were investigated as NRR catalysts by a combination of density functional theory calculations and least absolute shrinkage and selection operator(LASSO)***_(3)C_(2)O_(X) has been regarded as a promising catalyst for the NRR because of its stability,activity,and *** poten‐tial‐determining step is*NH_(2) hydrogenation to*NH3 with a limiting potential of-0.45 ***‐more,via LASSO regression,the descriptors and equations fitting the relationship between the properties of O‐functional MXenes and NRR activity have been *** work not only pro‐vides a rational design strategy for catalysts but also provides machine learning data for further investigation.

摘要：The development of bifunctional catalysts for the efficient hydrogenation and acceptorless dehydrogenation of N‐heterocycles is a *** this study,Ru_(2)P/AC effectively promoted reversible transformations between unsaturated and saturated N‐heterocycles affording yields of 98%and 99%,***,a remarkable enhancement in the reusability of Ru_(2)P/AC was observed compared with other Ru‐based *** to density functional theory calculations,the superior performance of Ru_(2)P/AC was ascribed to specific synergistic factors,namely geometric and electronic effects induced by P.P greatly reduced the large Ru‐Ru ensembles and finely modified the electronic structures,leading to a low reaction barrier and high desorption ability of the catalyst,further boosting the hydrogenation and acceptorless dehydrogenation processes.

摘要：为得到气动钉枪橡胶缓冲垫的动态应力等响应,以气动钉枪实测的压力作为边界条件,利用非线性动力学分析软件LS-DYNA对橡胶缓冲垫承受枪针组件冲击的动态过程进行了数值模拟研究。仿真结果得到的最大应力出现部位与缓冲垫实际破坏位置有较好的一致性。还进行了高速摄像实验,实验结果与仿真结果的对比验证了仿真的可靠性。

摘要：主要针对某型号气动钉枪,采用有限元方法对其枪体进行了模态分析。首先,在Pro/E中建立了该枪体的三维实体模型;其次,利用HyperMesh软件建立了枪体的有限元动力学模型,并在Optistruct求解器下对该模型进行了模态分析,获得了模型的固有频率及相应的振型;最后,将求解的结果生成模态中性文件(.mnf)导入ADAMS中进行结果展示。分析结果不仅有利于了解结构的动态特性,避免共振,而且还成功实现了HyperMesh与ADAMS的联合仿真,为后续在AD-AMS中对整枪的动态特性分析提供了分析基础。