Optimal control and numerical methods for hybrid stochastic SIS models

This work focuses on optimal controls of a class of stochastic SIS epidemic models under regime switching. By assuming that a decision maker can influence the infectivity period, our aim is to minimize the expected discounted cost due to illness, medical treatment, and the adverse effect on the society. In addition, a model with the incorporation of vaccination is proposed. Numerical schemes are developed by approximating the continuous-time dynamics using Markov chain approximation methods. It is demonstrated that the approximation schemes converge to the optimal strategy as the mesh size goes to zero. Numerical examples are provided to illustrate our results.     

[Nb@Ge13/14]3−: New Family Members of Ge-Based Intermetalloid Clusters

During the past two decades, single-atom-centered medium-sized germanium clusters [M@Ge_n] (M=transition metals, n>12) have been extensively explored, both from theoretical perspectives and experimental gas-phase syntheses. However, the actual structural arrangements of the Ge₁₃ and Ge₁₄ endohedral cages are still ambiguous and have long remained an unresolved problem for experimental implementation. In this work, we successfully synthesize 13-/14-vertex Ge clusters [Nb@Ge₁₃]³⁻ ( 1 ) and [Nb@Ge₁₄]³⁻ ( 2 ), which are structurally characterized and exhibit unprecedented topologies, neither classical deltahedra nor 3-connected polyhedral structures. Theoretical analysis indicates that the major stabilization of the Ge backbones arises due to the substantial interaction of Ge 4p-AOs with the endohedral Nb 4d-AOs through three/four-center two-electron bonds with an enhanced electron density accumulated over the shortest Nb−Ge13 contact in 1 . Low occupancies of the direct two-center two-electron (2c–2e) Nb−Ge and Ge−Ge σ bonds point to a considerable degree of electron delocalization over the Ge cages revealing their electron deficiency.     

Visible-Light Augmented Lithium Storage Capacity in a Ruthenium(II) Photosensitizer Conjugated with a Dione-Catechol Redox Couple

Controlling redox activity of judiciously appended redox units on a photo-sensitive molecular core is an effective strategy for visible light energy harvesting and storage. The first example of a photosensitizer - electron donor coordination compound in which the photoinduced electron transfer step is used for light to electrical energy conversion and storage is reported. A photo-responsive Ru-diimine module conjugated with redox-active catechol groups in [Ru(II)(phenanthroline-5,6-diolate)₃]⁴⁻ photosensitizer can mediate photoinduced catechol to dione oxidation in the presence of a sacrificial electron acceptor or at the surface of an electrode. Under potentiostatic condition, visible light triggered current density enhancement confirmed the light harvesting ability of this photosensitizer. Upon implementation in galvanostatic charge-discharge of a Li battery configuration, the storage capacity was found to be increased by 100 %, under 470 nm illumination with output power of 4.0 mW/cm⁻². This proof-of-concept molecular system marks an important milestone towards a new generation of molecular photo-rechargeable materials.     

Effect of external electric field on the terahertz transmission characteristics of electrolyte solutions

We fabricated a microfluidic chip with simple structure and good sealing performance, and studied the influence of the electric field on THz absorption intensity of liquid samples treated at different times by using THz time domain spectroscopy system. The tested liquids were deionised water and CuSO₄, CuCl₂, NaHCO₃, Na₂CO₃ and NaCl solutions. The transmission intensity of the THz wave increases as the standing time of the electrolyte solution in the electric field increases. The applied electric field alters the dipole moment of water molecules in the electrolyte solution, which affects the vibration and rotation of the whole water molecules, breaks the hydrogen bonds in the water, increases the number of single water molecules and leads to the enhancement of the THz transmission spectrum.     

原位液相透射电子显微镜及其在 纳米粒子表征方面的应用

近年来,基于透射电子显微技术、微纳加工技术和薄膜制造技术的发展,原位液相透射电子显微技术产生,为构建多种纳米级分辨率尺度下的微实验平台,发展新型纳米表征技术和众多领域的相关研究提供了途径.本文首先介绍了应用于原位液相透射电子显微技术的液体腔设计要求,然后介绍了液体腔的发展和典型的制备工艺,最后综述了近年来液体腔透射电子显微镜在纳米粒子成核和生长方面的应用研究,并探讨了该技术前沿发展面临的机遇和挑战.本文将为提高我国先进纳米表征技术和原子精准构筑技术提供相关讨论和支持.     

Ultrathin Silicon Oxide Film-Induced Enhancement of Charge Separation and Transport of Nanostructured Titanium(IV) Oxide Photoelectrode

The development of nanostructured semiconductor electrodes represented by a mesoporous TiO₂ nanocrystalline (mp-TiO₂) film is currently bringing great progresses in photoelectrochemical (PEC) devices for solar-to-electricity and solar-to-chemical conversion. Two serious losses can occur in PEC devices: 1) recombination between the conduction band (CB) electrons and valence band (VB) holes in the bulk and at the surface and 2) back reaction or electron trapping by oxidant in the electrolyte solution during transport to the electron-collecting electrode. Thus, the major challenge in common with the nanostructured semiconductor photoanodes is to achieve efficient charge separation and electron transport. In this study, an ultrathin SiO_x layer was formed on both the external and the internal surface of mp-TiO₂ using an original chemisorption-calcination technique employing 1,3,5,7-tetramethyltetrasiloxane as a starting material. The SiO_x surface modification of the mp-TiO₂ photoanode drastically prolongs the mean lifetime of CB-electrons in TiO₂ because of enhanced charge separation and electron transport by the negative charge applied in aqueous electrolyte solution. We have demonstrated that the performance of a one-compartment H₂O₂-photofuel cell using mp-TiO₂ as the photoanode is greatly boosted by the surface modification with the SiO_x layer. We anticipate that this methodology is widely applicable to nanostructured metal oxide semiconductor electrodes, contributing to the improvement in the performance of PEC devices.     

Cationic Porphyrin-Graphene Oxide Hybrid: Donor-Acceptor Composite for Efficient Photoinduced Electron Transfer

Non-covalent nanohybrids composed of cationic 5,10,15,20-tetra(4-trimethylammoniophenyl)porphyrin tetra(p-toluenesulfonate) (TMAP) and the graphene oxide sheets were prepared under two pH values (6.2 vs. 1.8). The TMAP molecule was positively charged, regardless of the pH value during preparation. However, protonation of the imino nitrogens increased the overall charge of the porphyrin molecule from +4 to +6 (TMAP⁴⁺ and TMAP⁶⁺). It was found that at acidic pH, interaction of TMAP⁶⁺ with GO was largely suppressed. On the other hand, results of FTIR, Raman spectroscopy, thermogravimetric analysis, atomic force microscopy (AFM) and elemental analysis confirmed effective non-covalent functionalization of graphene oxide with cationic porphyrin at pH 6.2. The TMAP⁴⁺-GO hybrids exhibited well defined structure with a monolayer of TMAP⁴⁺ on the GO sheets as confirmed by AFM. Formation of the ground-state TMAP⁴⁺-GO complex in solution was monitored by the red-shift of the porphyrin Soret absorption band. This ground-state interaction between TMAP⁴⁺ and GO is responsible for the static quenching of the porphyrin emission. Fluorescence was not detected for the nanohybrid which indicated that a very fast deactivation process had to take place. Ultrafast time-resolved transient absorption spectroscopy clearly demonstrated the occurrence of electron transfer from the photoexcited TMAP⁴⁺ singlet state to GO sheets, as proven by the formation of a porphyrin radical cation.     

A chlorinated non-fullerene acceptor for efficient polymer solar cells

Improving the performance and reducing the manufacturing costs are the main directions for the development of organic solar cells in the future. Here, the strategy that uses chemical structure modification to optimize the photoelectric properties is reported. A new narrow bandgap (1.30 eV) chlorinated non-fullerene electron acceptor (Y15), based on benzo[d][1,2,3] triazole with two 3-undecyl-thieno[2′,3′:4,5] thieno[3,2-b] pyrrole fused -7-heterocyclic ring, with absorption edge extending to the near-infrared (NIR) region, namely A-DA'D-A type structure, is designed and synthesized. Its electrochemical and optoelectronic properties are systematically investigated. Benefitting from its NIR light harvesting, the fabricated photovoltaic devices based on Y15 deliver a high power conversion efficiency (PCE) of 14.13%, when blending with a wide bandgap polymer donor PM6. Our results show that the A-DA'D-A type molecular design and application of near-infrared electron acceptors have the potential to further improve the PCE of polymer solar cells (PSCs).     

WO3/g-C3N4异质结催化剂的制备及其氧化脱硫性能

以尿素和钨酸铵为原料采用浸渍法制备了金属氧化物三氧化钨（WO₃）与石墨相氮化碳（g-C₃N₄）异质结复合材料WO₃/g-C₃N₄。采用XRD、UV-vis、SEM、PL和XPS表征手段考察了催化剂的理化性质，发现WO₃与g-C₃N₄存在较好的相互作用和电子转移，保证了WO₃/g-C₃N₄本身所具有较高的氧化脱硫活性。以WO₃/g-C₃N₄作为催化剂，过氧化氢异丙苯为氧化剂，考察其光催化氧化脱硫性能，在反应温度80℃，O/S物质的量比为3.0的反应条件下，反应180 min，二苯并噻吩（DBT）转化率可以达到72.79%。通过游离基捕获实验，发现超氧自由基（·O₂^-）、电子（e^-）、羟基自由基（·OH）起到了促进反应速率的作用，并对该体系的反应机理进行了探讨。