卤键在超分子化学中的应用进展

卤键是指作用在卤原子(路易斯酸)和具有孤对电子的原子或π电子体系(路易斯碱)之间的新型弱相互作用,其在超分子多维自组装和分子识别(如超分子催化、超分子选择拆分、超分子传感)等领域有着广泛的应用。本文介绍了卤键的类别、特性、功能及在超分子化学结构与功能领域中的应用。     

S掺杂Fe-NC单原子催化剂氧还原机理研究

杂原子掺杂的Fe-NC催化剂在氧还原反应中表现出优异的性能.本工作采用密度泛函理论研究了S原子掺杂对Fe-NC单原子催化剂电子结构的调控及促进氧还原反应的作用机理,分析了硫原子掺杂后Fe-NC催化剂的稳定构型,S原子对FeN₄活性位点电子结构的调控,以及氧气的吸附和氧还原反应作用机理.研究结果表明,在FeN₄活性位点周围掺杂少量S原子,可以提高催化剂的稳定性.S原子掺杂提高氧还原性能的机理为：（1）S原子的掺杂降低了催化剂的带隙,提高催化剂导电性,有利于电催化氧还原反应;（2）S原子的掺杂可以提高催化剂吸附氧气的能力,有利于氧还原反应;（3）体系中引入四个S原子可以降低氧还原反应的过电位,提高FeN₄位点催化氧还原反应的活性.这项工作可能为基于碳材料的单原子催化剂上杂原子掺杂的调控提供新的思路.     

Shape co-existence and structural evolution of thevi13/2 band in157Yb

The high-spin states of¹⁵⁷Yb have been studied via the reaction of¹⁴⁴Sm(¹⁶O, 3n) at¹⁶O energy of 90 MeV using techniques of in-beam γ-ray spectroscopy. Measurement of γ-γ-t coincidences was performed with 11 BGO(AC)HPGe detectors. Based on the γ-γ coincidence relationships and the measured results of γ-ray anisotropies and DCO ratios, the level scheme for¹⁵⁷Yb was established. The shape co-existence and structural evolution of thevi_13/2 band with increasing angular momentum in¹⁵⁷Yb have been discussed. The systematics of thevi_13/2 bands in theN=87 odd-A isotones have been compared.     

High-spin states and signature inversion in odd-odd182Au

High-spin states in¹⁸²Au have been produced and studied via the¹⁵²Sm(³⁵Cl,5nγ)¹⁸²Au reaction. The level scheme consisting of the πh _9/2⊗νi _13/2 and πi _13/2⊗νi _13/2 bands has been established for the first time. The low spin signature inversion in both bands has been found. The observed signature inversion phenomena can be interpreted qualitatively using the pairing and deformation self-consistent cranked Wood-Saxon calculations.     

线性V函数在变系数时滞系统中的应用

在文[7]的方法基础上，继续利用线性V函数研究时滞系统的稳定性．经过简洁的推导，给出了若干有效的充分性判据．     

扁球壳轴对称屈曲问题的样条函数解法

本文用三次B样条函数和迭代法求解圆底扁球壳在逐次加载时挠度增量和内力增量所满足的变系数非线性微分方程,从而得出均布荷载作用下周边固定圆底扁球壳轴对称弯曲问题的解答。文中计算了λ≤46的各种λ值的极值屈曲荷载,所得结果在λ≤20时与Budiansky等所得结果一致。     

一些函数族的一般极值问题

本文主要讨论了带限制条件的正实部解析函数族及纯凸像函数族的一般极值问题．首先我们得了两类带限制条件的正实部函数族的支撑点的表达式．其次，我们讨论了亚纯凸像函数族的极值问题，得到了亚纯凸像函数族上Ｆｒｃｈｅｔ可导泛函所对应的极函数的最好形式．