Interface and defects engineering for multilayer laser coatings

High-reflective multilayer laser coatings are widely used in advanced optical systems from high power laser facilities to high precision metrology systems. However, the real interface quality and defects will significantly affect absorption/scattering losses and laser induced damage thresholds of multilayer coatings. With the recent advances in the control of coating design and deposition processes, these coating properties can be significantly improved when properly engineered the interface and defects. This paper reviews the recent progress in the physics of laser damage, optical losses and environmental stability involved in multilayer reflective coatings for high power nanosecond near-infrared lasers. We first provide an overview of the layer growth mechanisms, ways to control the microstructures and reduce layer roughness, as well as the nature of defects which are critical to the optical loss and laser induced damage. Then an overview of interface engineering based on the design of coating structure and the regulation of deposition materials reveals their ability to improve the laser induced damage threshold, reduce the backscattering, and realize the desirable properties of environmental stability and exceptional multifunctionality. Moreover, we describe the recent progress in the laser damage and scattering mechanism of nodule defects and give the approaches to suppress the defect-induced damage and scattering of the multilayer laser coatings. Finally, the present challenges and limitations of high-performance multilayer laser coatings are highlighted, along with the comments on likely trends in future.     

Direct visualization of structural defects in 2D semiconductors

Direct visualization of the structural defects in two-dimensional (2D) semiconductors at a large scale plays a significant role in understanding their electrical/optical/magnetic properties, but is challenging. Although traditional atomic resolution imaging techniques, such as transmission electron microscopy and scanning tunneling microscopy, can directly image the structural defects, they provide only local-scale information and require complex setups. Here, we develop a simple, non-invasive wet etching method to directly visualize the structural defects in 2D semiconductors at a large scale, including both point defects and grain boundaries. Utilizing this method, we extract successfully the defects density in several different types of monolayer molybdenum disulfide samples, providing key insights into the device functions. Furthermore, the etching method we developed is anisotropic and tunable, opening up opportunities to obtain exotic edge states on demand.     

Electro-assisted Molecular Assembly Giving Atomic-Scale Catalytic Active-Site Detection

The artificially accurate design of nonmetal electrocatalysts’ active site has been a huge challenge because no pure active species with the specific structure could be strictly controlled by traditional synthetic methods. Species with a multiconfiguration in the catalyst hinder identification of the active site and the subsequent comprehension of the reaction mechanism. We have developed a novel electro-assisted molecular assembly strategy to obtain a pure pentagon ring on perfect graphene avoiding other reconstructed structures. More importantly, the active atom was confirmed by the subtle passivation process as the topmost carbon atom. Recognition of the carbon-defect electrocatalysis reaction mechanism was first downsized to the single-atom scale from the experimental perspective. It is expected that this innovative electro-assisted molecular assembly strategy could be extensively applied in the active structure-controlled synthesis of nonmetal electrocatalysts and verification of the exact active atom.     

Intrinsic intermediate gap states of TiO2 materials and their roles in charge carrier kinetics

Titanium dioxide (TiO₂) is regarded as an important prototype photocatalytic material for several decades. The charge carrier kinetics determines the photocatalytic properties of TiO₂ materials; this is found to be greatly dependent on electronic structures. It has been revealed that the intrinsic intermediate gap states (intrinsic GSs) play a significant role in charge carrier kinetics that drive the photocatalytic processes of TiO₂ materials, which are not well summarized until now. Motivated by this thought, the purpose of this review focuses on physiochemical science of the intrinsic GSs of TiO₂ materials and their important role in charge carrier kinetics. We first give a summary on the chemical resources of the intrinsic GSs in TiO₂ and their physiochemical nature. Their general energy distribution, charge carrier population, and the associated thermodynamic properties are also elaborated from an overall viewpoint. We further carefully summarize and compare the experimental studies on the energy and the density distribution of the intrinsic GSs and discuss the associated chemical resources and charge carrier localizations. Trapping is the dominant function of intrinsic GSs in the charge carrier kinetics of TiO₂ materials. The significant effect of trapping on the transport, recombination, and interfacial transfer of charge carriers are also comprehensive summarized. Furthermore, the effects of charge carrier kinetics on photocatalytic performances are also discussed to some extents. Because of the importance of intrinsic GSs in modulating charge carrier kinetics, it is expected to increase the photocatalytic activity by engineering the intrinsic GSs, not only for TiO₂ materials, but also for the other semiconductor photocatalysts.     

钇铝石榴石在高压下的光学性质第一性原理研究

本文采用基于密度泛函理论(DFT)的第一性原理方法,分别计算了120 GPa的压力范围内钇铝石榴石理想晶体和含氧空位点缺陷晶体的光学性质.计算数据表明:(1)在120 GPa的压力范围内其理想晶体和含2+价氧离子空位(形成能最低)的缺陷晶体在可见光区不存在光吸收(是透明的).(2)压力加载将导致其反射谱峰值强度降低,且空位缺陷的存在使其峰值强度进一步减弱.这些结果对进一步实验有重要的参考价值.     

GaInP/GaAs/Ge三结太阳电池不同能量质子辐照损伤模拟

以GaInP/GaAs/Ge三结太阳电池为研究对象,开展了能量为0.7, 1, 3, 5, 10 MeV的质子辐照损伤模拟研究,建立了三结太阳电池结构模型和不同能量质子辐照模型,获得了不同质子辐照条件下的I-V曲线,光谱响应曲线,结合已有实验结果验证了本文模拟结果,分析了三结太阳电池短路电流、开路电压、最大功率、光谱响应随质子能量的变化规律,利用不同辐照条件下三结太阳电池最大输出功率退化结果,拟合得到了三结太阳电池最大输出功率随位移损伤剂量的退化曲线.研究结果表明,质子辐照会在三结太阳电池中引入位移损伤缺陷,使得少数载流子扩散长度退化幅度随质子能量的减小而增大,从而导致三结太阳电池相关电学参数的退化随质子能量的减小而增大.相同辐照条件下,中电池光谱响应退化幅度远大于顶电池光谱响应退化幅度,中电池抗辐照性能较差,同时中电池长波范围内光谱响应的退化幅度比短波范围更大,表明中电池相关电学参数的退化主要来源于基区损伤.     

Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchair and zigzag CNTs with Stone–Wales (SW) defects to rank their ability to encapsulate DOX by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER16. We investigate also the chiral CNTs with haeckelite defects. Each haeckelite defect consists of a pair of square and octagonal rings. The armchair and zigzag CNT with SW defects and chiral nanotubes with haeckelite defects predict DOX-CNT interactions that depend on the length of the nanotube, the number of present defects and nitrogen doping. Chiral nanotubes having two haeckelite defects reveal a clear dependence on the nitrogen content with DOX-CNT interaction forces decreasing in the order 0N > 4N > 8N. These results contribute to a further understanding of drug-nanotube interactions and to the design of new drug delivery systems based on CNTs.     

相变及空位缺陷对AlN在高压下光学性质的影响

采用基于密度泛函理论(DFT)的第一性原理方法, 计算了AlN理想晶体和含铝、氮空位点缺陷晶体在100 GPa压力范围内的光学性质. 波长在532 nm处的折射率计算结果表明：AlN从纤锌矿结构相转变为岩盐矿结构相将导致其折射率增加; 铝空位缺陷将引起AlN岩盐矿结构相的折射率增大, 而氮空位缺陷却导致其折射率降低. 能量损失谱计算数据指明：结构相变使得AlN能量损失谱蓝移、主峰峰值强度增强；铝和氮空位缺陷将导致AlN岩盐矿结构相的能量损失谱主峰进一步蓝移、峰值强度再次增强. 计算预测的结果将为进一步的实验探究提供理论参考.