反式乙烯基联吡啶表面增强拉曼光谱的密度泛函理论研究

反式乙烯基联吡啶具有极好的拉曼散射信号,经常用做探针分子.利用密度泛函理论(DFT)理论,采用BP86,BPw91和B3LYP等方法,Ag原子使用赝式基组,H,C,N等原子使用6-31+ +G(d,p)基组,计算了反式乙烯基联吡啶与银配合物(t-BPE-Ag)的Raman光谱,并且利用势能分布(PED)计算结果对t-BPE分子Raman光谱和SERS谱进行了详细的归属,DFT理论得到结果说明根据DFT理论计算t-BPE-Ag配合物得到的Raman光谱与实验SERS谱基本一致,并且键连Ag原子越多,与实验值会更接近,t-BPE-Ag配合物HOMO与LUMO的能级差估计在449～912 nm范围内.     

半导体激光泵浦亚稳态氩气激光器实现激光振荡

采用基于体布拉格光栅的窄线宽半导体激光器作为泵浦源,以电容耦合式射频激励Ar, He混合气体放电等离子体为增益介质,在双程纵向泵浦的结构下实现了连续波模式的912 nm的激光输出。     

Frobenius manifolds and Frobenius algebra-valued integrable systems

The notion of integrability will often extend from systems with scalar-valued fields to systems with algebra-valued fields. In such extensions the properties of, and structures on, the algebra play a central role in ensuring integrability is preserved. In this paper, a new theory of Frobenius algebra-valued integrable systems is developed. This is achieved for systems derived from Frobenius manifolds by utilizing the theory of tensor products for such manifolds, as developed by Kaufmann (Int Math Res Not 19:929–952, 1996), Kontsevich and Manin (Inv Math 124: 313–339, 1996). By specializing this construction, using a fixed Frobenius algebra \({\mathcal {A}},\) one can arrive at such a theory. More generally, one can apply the same idea to construct an \({\mathcal {A}}\)-valued topological quantum field theory. The Hamiltonian properties of two classes of integrable evolution equations are then studied: dispersionless and dispersive evolution equations. Application of these ideas are discussed, and as an example, an \({\mathcal {A}}\)-valued modified Camassa–Holm equation is constructed.     

Redox-Active Two-Dimensional Covalent Organic Frameworks (COFs) for Selective Reductive Separation of Valence-Variable,Redox-Sensitive and Long-Lived Radionuclides

We report the first example of 2D covalent organic framework nanosheets (Redox-COF1) for the selective reduction and in situ loading of valence-variable, redox-sensitive and long-lived radionuclides (abbreviated as VRL nuclides). Compared with sorbents based on chemical adsorption and physical adsorption, the redox adsorption mechanism of Redox-COF1 can effectively reduce the impact of functional group protonation under the usual high-acidity conditions in chemisorption, and raise the adsorption efficiency from the monotonous capture by pores in physisorption. The adsorption selectivity for UO₂²⁺ reaches up to unprecedented ca. 97 % at pH 3, more than for any analogous adsorbing material.     

Tuning Electrical- and Photo-Conductivity by Cation Exchange within a Redox-Active Tetrathiafulvalene-Based Metal–Organic Framework

To activate electronic and optical functions of the redox-active metal–organic framework, (Me₂NH₂)[In^III(TTFTB)]⋅0.7 C₂H₅OH⋅DMF (Me₂NH₂@ 1 , TTFTB=tetrathiafulvalene-tetrabenzoate, DMF=N,N-dimethylformamide), has been exchanged by tetrathiafulvalenium (TTF^.+) and N,N′-dimethyl-4,4′-bipyridinium (MV²⁺). These cations provide electron carriers and photosensitivity. The exchange retains the crystallinity allowing single-crystal to single-crystal post-synthetic transformation to TTF@ 1 and MV@ 1 . Both TTF^.+ and MV²⁺ enhance the electrical conductivity by a factor of 10² and the visible light induced photocurrent by 4 and 28 times, respectively. EPR evidences synergetic effect involving charge transfer between the framework redox-active TTFTB bridges and MV²⁺. The results demonstrate that functionalization of MOF by cation exchange without perturbing the crystallinity extends possibilities to achieve switchable materials.     

Ion-Functionalized Silver(I) Carboxylates: Synthesis and Application in Ru-Catalyzed Olefin Metathesis Reaction

Russian Journal of General Chemistry - The Grubbs–Hoveyda catalysts have a wide range of applications in catalyzed formation of the carbon-carbon double bonds. In this study, several...     

Offline Arbitrated Quantum Blind Dual-Signature Protocol with Better Performance in Resisting Existential Forgery Attack

In this paper, we present an offline arbitrated quantum blind dual-signature protocol by using four-particle entangled Greenberger-Horne-Zeilinger(GHZ) states. By using the special relationship of four-particle GHZ states, we can not only support the security of quantum signature, but also guarantee the anonymity of the message owner. In our protocol, the authority of the arbitrator has been reduced, i.e., he will not help the receiver verify the signature in the verification. Compared with the previous quantum blind signature protocols, the presented arbitrator is offline. Finally, the security analysis and discussion are proposed.     

Highly efficient photoluminescence of Er2SiO5 films grown by reactive magnetron sputtering method

E₂SiO₅ thin films were fabricated on Si substrate by reactive magnetron sputtering method with subsequent annealing treatment. The morphology properties of as-deposited films have been studied by scanning electron microscope. The fraction of erbium is estimated to be 23.5 at% based on Rutherford backscattering measurement in as-deposited Er-Si-O film. X-ray diffraction measurement revealed that Er₂SiO₅ crystalline structure was formed as sample treated at 1100 °C for 1 h in O₂ atmosphere. Through proper thermal treatment, the 1.53 μm Er³⁺-related emission intensity can be enhanced by a factor of 50 with respect to the sample annealed at 800 °C. Analysis of pump-power dependence of Er³⁺ PL intensity indicated that the upconversion phenomenon could be neglected even under a high photon flux of 10²¹(photons/cm²/sec). Temperature-dependent photoluminescence (PL) of Er₂SiO₅ was studied and showed a weak thermal quenching factor of 2. Highly efficienct photoluminescence of Er₂SiO₅ films has been demonstrated with Er³⁺ concentration of 10²²/cm³, and it opens a promising way towards future Si-based light source for Si photonics.