Block-coherence measures and coherence measures based on positive-operator-valued measures

We study block-coherence measures based on the resource theory of block-coherence and coherence measures based on positive-operator-valued measures (POVM). Several block-coherence measures are presented, including the block-coherence measure based on maximum relative entropy, the one-shot block-coherence cost under maximally block-incoherent operations, and the coherence measure based on coherent rank. Their relationships are obtained. Moreover, we describe the deterministic coherence dilution process by constructing block-incoherent operations. Based on the POVM coherence resource theory, we also propose two coherence measures and analyze their relationship.     

(+)-N-对甲苯磺酰-L-谷氨酸和1，3-联(4-吡啶基)丙烷构筑的银(I)配位聚合物的合成、晶体结构及性质研究

以手性配体(+)-N-对甲苯磺酰-L-谷氨酸(H2tsgluO)和1,3-联(4-吡啶基)丙烷(bpp)与银盐反应合成了一种同手性的配合物{Ag(HtsgluO)(bpp)}n(1),对其进行了表征。X-射线单晶衍射测定表明,该配合物属单斜晶系,P21空间群,a=1.220 79(18)nm,b=1.034 49(16)nm,c=2.059 5(3)nm,β=96.006(2)°,V=2.586 7(7)nm3,Z=4,R1=0.060 2,银离子处于扭曲的四面体配位环境中,分别和1个HtsgluO-氧原子,2个bpp氮原子以及1个银离子配位。配合物通过银银键构成了二维层状结构,并且进一步通过氢键构成了三维超分子结构。此外,对配合物的热重和荧光性质进行了研究。     

2-酯基-1,5-苯并氧氮杂的合成及反应副产物的研究

以取代苯、丁烯二酸酐、邻氨基(对氯邻氨基)苯酚为原料,合成了一系列2-酯基-1,5-苯并氧氮杂衍生物,其结构通过IR,1H NMR,MS(HRMS)及元素分析进行表征.同时,确定了一个主要副产物2-苯甲酰甲基-2H-1,4-苯并噁嗪-3(4H)-酮(6h’)的结构,提出了其可能的生成机理.研究还表明,中间体4-芳基-4-氧代-2-丁烯酸酯(4)在对甲基苯磺酸为催化剂、DMF作溶剂、回流温度下反应时主要生成目标产物2-酯基-1,5-苯并氧氮杂6,而在冰醋酸为催化剂、甲醇作溶剂、回流温度下反应时则主要生成副产物6h’.     

pr3+ 激活的CaMoO4红色荧光粉的发光性质

采用高温固相法制备了稀土pr3+激活的Ca1-xPrxMoO4(0.005≤x≤0.02)系列红色荧光粉.荧光光谱表明:在453 nm激发下,样品产生了红光发射,其中对应于pr3+的特征跃迁3 P0→3F2位于654 nm的红色发射峰最强.分析了pr3的掺杂摩尔分数x对样品发光强度的影响,确定pr3+的最佳掺杂摩尔分数...     

N2��Ƶ�ŵ��������(e,N2+, N+)��PIC-MCģ��

采用PIC-MC自洽模型,模拟了氮气电容性耦合射频放电的微观等离子体过程及带电粒子(e,N2+,N+)的行为。结果表明,离子(N2+,N+)的运动状态滞后瞬时射频电场的变化;在两极附近,N2+具较高密度,但能量较低,N+具较低的密度但能量较高,两者的密度差6倍左右。两种离子轰击射频电极的能量分布变化规律类似,随放电参数变化,离子(N2+,N+)能量变化显著,其密度变化不明显。模拟的电子能量几率分布与测量结果一致。     

Effect of Mg doping and MgO-surface modification on the cycling stability of LiCoO2 electrodes

Two synthetic routes including Mg doping and MgO-surface modification were applied to the preparation of LiCoO₂ showing enhanced reversible cycling behaviour as cathode material in lithium ion batteries. Mg-doped LiCoO₂ was obtained by the citrate precursor method in the temperature range 750–900°C. The surface of LiCoO₂ was modified by coating with Mg(CH₃COO)₂ and subsequent heating at 600°C. XRD, chemical oxidative analysis and electron paramagnetic resonance (EPR) of Ni³⁺ spin probes were used to characterize the Mg distribution in LiCoO₂. Substitution of Co by Mg in the CoO₂-layers was found to have a positive effect on the cycling stability, while Mg dopants in LiO₂-layers did not influence the capacity fade. The accumulation of MgO on the surface of LiCoO₂ improves the cycling stability without loss of initial capacity.     

Properties of RhP predicted by first-principles

Using density functional theory combined with a global crystal structure search with the particle swarm optimization method, we propose three stable three-dimensional (3D) metallic RhP structures, namely, the Cmcm (RhP-I), P6/mmm (RhP-II), and P6₃mc (RhP-III) phases. All these structures are found to be dynamically stable through vibrational normal mode calculations, indicating that they could be successfully synthesized in experiments. We show that the RhP-I phase has a relatively high thermodynamic stability and high mechanical strength in comparison with the others. The RhP-II and RhP-III phases have porous structures which could accommodate small atoms or molecules. However their thermodynamics are poor, especially the RhP-III phase. The RhP-II structure is stable at 500 K, but the RhP-III fails to survive even at the freezing point of water. Importantly, all these materials have one dimensional conducting channels corresponding to ultrahigh Fermi velocities. Moreover, the porous hexagonal RhP-II and III structures exhibit excellent ability to trap lithium, hydrogen, oxygen, and boron atoms. The RhP-II structure could be especially useful for directly dissociating the hydrogen molecule into two atoms without an energy barrier. In the present study, we identify three new metallic structures to the family of RhP structures, and anticipate their potential for technological applications.