Exploring the Limits of Transition-Metal Fluorination at High Pressures

Fluorination is a proven method for challenging the limits of chemistry, both structurally and electronically. Here we explore computationally how pressures below 300 GPa affect the fluorination of several transition metals. A plethora of new structural phases are predicted along with the possibility for synthesizing four unobserved compounds: TcF₇, CdF₃, OsF₈, and IrF₈. The Ir and Os octaflourides are both predicted to be stable as quasi-molecular phases with an unusual cubic ligand coordination, and both compounds formally correspond to a high oxidation state of +8. Electronic-structure analysis reveals that otherwise unoccupied 6p levels are brought down in energy by the combined effects of pressure and a strong ligand field. The valence expansion of Os and Ir enables ligand-to-metal F 2p→M 6p charge transfer that strengthens M−F bonds and decreases the overall bond polarity. The lower stability of IrF₈, and the instability of PtF₈ and several other compounds below 300 GPa, is explained by the occupation of M−F antibonding orbitals in octafluorides with a metal-valence-electron count exceeding 8.     

A Hydrolytically Stable Vanadium(IV) Metal–Organic Framework with Photocatalytic Bacteriostatic Activity for Autonomous Indoor Humidity Control

Metal–organic frameworks (MOFs) with long-term stability and reversible high water uptake properties can be ideal candidates for water harvesting and indoor humidity control. Now, a mesoporous and highly stable MOF, BIT-66 is presented that has indoor humidity control capability and a photocatalytic bacteriostatic effect. BIT-66 (V₃(O)₃(H₂O)(BTB)₂), possesses prominent moisture tunability in the range of 45–60 % RH and a water uptake and working capacity of 71 and 55 wt %, respectively, showing good recyclability and excellent performance in water adsorption–desorption cycles. Importantly, this MOF demonstrates a unique photocatalytic bacteriostatic behavior under visible light, which can effectively ameliorate the bacteria and/or mold breeding problem in water adsorbing materials.     

CuS/Ag2S纳米复合物的制备及类过氧化物酶性质

采用水热法合成了一种微球状的CuS/Ag₂S纳米复合物. 通过透射电子显微镜、 紫外-可见吸收光谱和拉曼光谱等对其形貌及光学性质进行了表征; 考察了其类过氧化物酶性质, 并通过表面增强拉曼散射原位监测了类过氧化物酶催化反应. 以3,3',5,5'-四甲基联苯胺(TMB)为底物进行显色反应, 结果表明, 在H₂O₂存在下CuS/Ag₂S 纳米复合物具有类过氧化物酶的性质, 可以将无色的TMB氧化成蓝色的oxTMB. 基于此实现了对微量H₂O₂的检测.     

Dynamics of a stochastic density dependent predator-prey system with Beddington-DeAngelis functional response

In this paper, we discuss a stochastic density dependent predator-prey system with Beddington-DeAngelis functional response. First, we show that this system has a unique positive solution as this is essential in any population dynamics model. Then, we investigate the asymptotic behavior of this system. When the white noise is small, the stochastic system imitates the corresponding deterministic system. Either there is a stationary distribution, or the predator population will die out. While if the white noise is large, besides the extinction of the predator population, both species in the system may also die out, which does not happen in the deterministic system. Finally, simulations are carried out to conform to our results.     

Some results on condition numbers of the scaled total least squares problem

Under the Golub-Van Loan condition for the existence and uniqueness of the scaled total least squares (STLS) solution, a first order perturbation estimate for the STLS solution and upper bounds for condition numbers of a STLS problem have been derived by Zhou et al. recently. In this paper, a different perturbation analysis approach for the STLS solution is presented. The analyticity of the solution to the perturbed STLS problem is explored and a new expression for the first order perturbation estimate is derived. Based on this perturbation estimate, for some STLS problems with linear structure we further study the structured condition numbers and derive estimates for them. Numerical experiments show that the structured condition numbers can be markedly less than their unstructured counterparts.     

广义Poisson超代数的同调与上同调群

给出了广义Poisson超代数的同调和上同调群的基本性质.特别是,通过Hochschild上同调以及长正合列,建立了广义Poisson超代数上同调群的理论,刻画了这种代数的低阶上同调群.最后,决定了5-正合列以及它的泛中心扩张的核.     

Long term behaviors of stochastic single-species growth models in a polluted environment

Thresholds for extinction and persistence are important for assessing the risk of mortality in systems exposed to toxicant. In this paper, three single-species models with random perturbation in a polluted environment are proposed and investigated. One is the generalized logistic model and the other two are the stochastic resource–consumer models of Leslie and Gallopin. For each model, the survival threshold is obtained in some cases. In general, each threshold is determined by intensity of the random noise, the mean stress measure in organisms, the population intrinsic growth rate and the stress response rate.     

Rounded data analysis based on multi-layer ranked set sampling

Observations of sampling are often subject to rounding, but are modeled as though they were unrounded. This paper examines the impact of rounding errors on parameter estimation with multi-layer ranked set sampling. It shows that the rounding errors seriously distort the behavior of covariance matrix estimate, and lead to inconsistent estimation. Taking this into account, we present a new approach to implement the estimation for this model, and further establish the strong consistency and asymptotic normality of the proposed estimators. Simulation experiments show that our estimates based on rounded multi-layer ranked set sampling are always more efficient than those based on rounded simple random sampling.     

Surfactant-assisted synthesis of Ag nanostructures and their self-assembled films on copper and aluminum substrate

In this paper, silver nanostructures with controlled morphologies, such as plates, rods, belts, sheets and their self-assembled films have been prepared on copper and aluminum substrates by a surfactant-assisted colloidal chemical method. The X-ray powder diffraction (XRD) and the selected area electron diffraction (SAED) patterns indicated that the Ag nanostructures grew on the substrates with cubic symmetry and single-crystalline in nature. An oriented attachment with surfactant-assisted mechanism and a cooperative effect of surfactant and chloride ion on the morphology of Ag nanostructures were investigated systematically and synthetically.     

基于铯原子光泵磁共振的磁场传感实验系统设计

给出了铯原子光泵磁共振测量磁场的原理.利用MEMS封装与制造技术,设计了一种芯片级的激光铯磁场传感系统,可实现对微弱磁场的检测.