Enhancement of thermoelectric properties of D-A conjugated polymer through constructing random copolymers with more electronic donors

Developing new D-A conjugated polymer system for thermoelectric (TE) application is highly desirable. Herein, a series of random copolymers by incorporating 3,4-ethylenedioxythiophene (EDOT) electron rich units into a diketopyrrolopyrrole (DPP) D-A conjugated polymer were designed and synthesized. Compared to the alternating conjugated copolymer PDPP-3T, the HOMO level of the random copolymers are increased as part of the electron deficiency acceptor DPP units in the polymer chain were superseded by electron rich EDOT, which could contribute to effective p-doping. Moreover, through incorporating EDOT to construct random copolymers, it can also induce an orientation change from face-on dominated to edge-on dominated orientation as well as enhance the packing of copolymer chains, which is beneficial to the charge transport. Under same doping condition, the electrical conductivities of the doped polymers increase and the Seebeck coefficient decrease as the increasing of EDOT content, resulting in an optimized power factor of 6.4 μW m⁻¹ K⁻² for the random polymer with EDOT content of 40% which is four times higher than that of alternating conjugated copolymer PDPP-3T. These results demonstrated that constructing random copolymers by incorporating more electronic donors into D-A conjugated polymers may be a promising strategy for developing TE conjugated polymers.     

Ring-polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12)

In the interstellar medium, the H₂ adsorption and desorption on the solid water ice are crucial for chemical and physical processes. We have recently investigated the probabilities of H₂ sticking on the (H₂O)₈ ice, which has quadrilateral surfaces. We have extended the previous work using classical MD and ring-polymer molecular dynamics (RPMD) simulations to the larger ice clusters, (H₂O)₁₀ and (H₂O)₁₂, which have pentagonal and hexagonal surfaces, respectively. The H₂ sticking probabilities decreased as the temperature increased for both cluster cases, whereas the cluster-size-independent profiles were observed. It is thought that the size independence of the probabilities is qualitatively understood from the similar binding energies for all the three cluster systems. Furthermore, the RPMD sticking probabilities are smaller than the classical ones because of the reduction in the binding energies owing to nuclear quantum effects, such as vibrational quantization.     

One‐Pot Cannizzaro Cascade Synthesis of ortho‐Fused Cycloocta‐2,5‐dien‐1‐ones from 2‐Bromo(hetero)aryl Aldehydes

An intramolecular Cannizzaro‐type hydride transfer to an in situ prepared allene enables the synthesis of ortho‐fused 4‐substituted cycloocta‐2,5‐dien‐1‐ones with unprecedented technical ease for an eight‐ring carboannulation. Various derivatives could be obtained from commercially available (hetero)aryl aldehydes, trimethylsilylacetylene, and simple propargyl chlorides in good yields.     

Unconventional Magnetic and Resistive Hysteresis in an Iodine‐Bonded Molecular Conductor

Simultaneous manipulation of both spin and charge is a crucial issue in magnetic conductors. We report on a strong correlation between magnetism and conductivity in the iodine‐bonded molecular conductor (DIETSe)₂FeBr₂Cl₂ [DIETSe=diiodo(ethylenedithio)tetraselenafulvalene], which is the first molecular conductor showing a large hysteresis in both magnetic moment and magnetoresistance associated with a spin‐flop transition. Utilizing a mixed‐anion approach and iodine bonding interactions, we tailored a molecular conductor with random exchange interactions exhibiting unforeseen physical properties.     

Neutron skin thickness of 90Zr and symmetry energy constrained by charge exchange spin-dipole excitations

The charge exchange spin-dipole (SD) excitations of \begin{document}$ ^{90} $\end{document}Zr are studied using the Skyrme Hartee-Fock plus proton-neutron random phase approximation with SAMi-J interactions. The experimental value of the model-independent sum rule obtained from the SD strength distributions of \begin{document}$ ^{90} $\end{document}Zr(p, n)\begin{document}$ ^{90} $\end{document}Nb and \begin{document}$ ^{90} $\end{document}Zr(n, p)\begin{document}$ ^{90} $\end{document}Y is used to deduce the neutron skin thickness. The neutron skin thickness \begin{document}$ \Delta r_{np} $\end{document} of \begin{document}$ ^{90} $\end{document}Zr is extracted as \begin{document}$ 0.083\pm0.032 $\end{document} fm, which is similar to the results of other studies. Based on the correlation analysis of the neutron skin thickness \begin{document}$ \Delta r_{np} $\end{document} and the nuclear symmetry energy J as well as its slope parameter L, a constraint from the extracted \begin{document}$ \Delta r_{np} $\end{document} leads to the limitation of J to \begin{document}$ 29.2 \pm 2.6 $\end{document} MeV and L to \begin{document}$ 53.3 \pm 28.2 $\end{document} MeV.     

二硫化锡纳米片阻变存储器的制备与性能

采用水热法合成了尺寸为50~100 nm的二硫化锡纳米片,并首次以二硫化锡作为阻变层材料的阻变存储器（Cu/PMMA/SnS₂/Ag,PMMA=聚甲基丙烯酸甲酯）,对其阻变性能进行了研究。结果表明： Cu/PMMA/SnS₂/Ag阻变存储器的开关比约10⁵,耐受性2.7×10³。在上述2项性能指标达到较优水平的同时,开态与关态电压分别仅约为0.28与-0.19 V。     

Utility maximization problem with random endowment and transaction costs: when wealth may become negative

In this article, we study the problem of maximizing expected utility from the terminal wealth with proportional transaction costs and random endowment. In the context of the existence of consistent price systems, we consider the duality between the primal utility maximization problem and the dual one, which is set up on the domain of finitely additive measures. In particular, we prove duality results for utility functions supporting possibly negative values. Moreover, we construct a shadow market by the dual optimal process and consider the utility-based pricing for random endowment.     

不确定需求与产出供应链回购契约决策

针对市场需求的不确定性和供应商产出产品合格率的不确定性,提出供应商产出量小于销售商订购量时需再生产满足销售商的订购,以及供应商生产过量和回购的产品通过折扣市场出售,建立以供应链期望利润为目标函数,以回购单价为决策变量的供应链回购契约决策模型.通过模型的分析,证明了模型存在最优的期望利润,给出了最优回购单价满足的方程;同时,也证明了最优订购量,最优生产量和销售商最优期望利润是回购单价的增函数.最后,通过算例验证了模型的有效性.     

广义Khasminskii条件下自变量分段连续型带Poisson随机测度随机微分方程Euler方法的依概率收敛性

针对满足广义Khasminskii条件的由维纳过程和泊松随机测度驱动的自变量分段连续型随机微分方程(EPCASDEs),给出了Euler方法,广义Khasminskii条件比经典条件包容了更多的EPC.ASDEs.现有文献对该类方程的研究成果较少.针对EPCASDEs在广义Khasminskii条件下证明了全局解的存在唯一性,并研究了Euler方法的依概率收敛性.给出了数值算例支持主要结论.