单面柱局域共振声子晶体低频带隙特性分析及结构改进研究

基于有限元法对单面柱局域共振声子晶体进行带隙特性分析,研究了结构参数对该类型声子晶体的影响。结果表明:随着散射体高度的增加,单面柱声子晶体的第一完全带隙的起始频率逐渐降低,带宽逐渐增大;随着基板厚度的增大,单面柱声子晶体的起始频率逐渐升高,截止频率先增大后减小。并且在经典单面柱声子晶体的基础上,组合了两种新型的三组元单面柱声子晶体结构:嵌入式单面柱声子晶体(以下简称结构Ⅰ)和粘接式单面柱声子晶体(以下简称结构Ⅱ)。通过对其带隙特性的分析得出:这两种新结构与经典的单面柱声子晶体相比,都具有更低频的带隙,这对于低频减振降噪是非常有利的。本文的结果将对实际的工程应用提供一定的理论指导。     

气相输运沉积制备c轴择优取向的碘化铋薄膜

铋基卤化物材料因其无毒和优良的光电性能而显示出巨大的应用潜力。BiI₃作为一种层状重金属半导体,已被用于X射线检测、γ射线检测和压力传感器等领域,最近其作为一种薄膜太阳能电池吸收材料备受关注。本文采用简单的气相输运沉积(VTD)法,以BiI₃晶体粉末作为蒸发源,在玻璃基底上得到高质量c轴择优取向的BiI₃薄膜。并通过研究蒸发源温度和沉积距离对薄膜物相和形貌的影响,分析了BiI₃薄膜择优生长的机理。结果表明VTD法制备的BiI₃薄膜属于三斜晶系,其光学带隙为~1.8 eV。沉积温度对薄膜的择优取向有较大影响,在沉积温度低于270 ℃时,沉积的薄膜具有沿c轴择优取向生长的特点,超过此温度,c轴择优取向生长消失。在衬底温度为250 ℃、沉积距离为15 cm时制备的薄膜结晶性能最好,晶体形貌为片状八面体。     

Y掺杂WS2二维材料的第一性原理研究

WS₂由于其优异的物理和光电性质引起了广泛关注。本研究基于第一性原理计算方法,探索了本征单层WS₂及不同浓度W原子替位钇(Y)掺杂WS₂的电子结构和光学特性。结果表明本征单层WS₂为带隙1.814 eV的直接带隙半导体。进行4%浓度(原子数分数)的Y原子掺杂后,带隙减小为1.508 eV,依旧保持着直接带隙的特性,随着Y掺杂浓度的不断增大,掺杂WS₂带隙进一步减小,当浓度达到25%时,能带结构转变为0.658 eV的间接带隙,WS₂表现出磁性。适量浓度的掺杂可以提高材料的导电性能,且掺杂浓度增大时,体系依旧保持着透明性并且在红外光和可见光区对光子的吸收能力、材料的介电性能都有着显著提高。本文为WS₂二维材料相关光电器件的研究提供了理论依据。     

Hexagonal boron phosphide and boron arsenide van der Waals heterostructure as high-efficiency solar cell

The rapid development of two-dimensional (2D) materials offers new opportunities for 2D ultra-thin excitonic solar cells (XSCs). The construction of van der Waals heterostructure (vdWH) is a recognised and effective method of integrating the properties of single-layer 2D materials, creating particularly superior performance. Here, the prospects of h-BP/h-BAs vdW heterostructures in 2D excitonic solar cells are assessed. We systematically investigate the electronic properties and optical properties of heterogeneous structures by using the density functional theory (DFT) and first-principles calculations. The results indicate that the heterogeneous structure has good optoelectronic properties, such as a suitable direct bandgap and excellent optical absorption properties. The calculation of the phonon spectrum also confirms the well-defined kinetic stability of the heterstructure. We design the heterogeneous structure as a model for solar cells, and calculate its solar cell power conversion efficiency which reaches up to 16.51% and is higher than the highest efficiency reported in organic solar cells (11.7%). Our work illustrates the potential of h-BP/h-BAs heterostructure as a candidate for high-efficiency 2D excitonic solar cells.     

A self-powered and sensitive terahertz photodetection based on PdSe2

With the rapid development of terahertz technology, terahertz detectors are expected to play a key role in diverse areas such as homeland security and imaging, materials diagnostics, biology, medical sciences, and communication. Whereas self-powered, rapid response, and room temperature terahertz photodetectors are confronted with huge challenges. Here, we report a novel rapid response and self-powered terahertz photothermoelectronic (PTE) photodetector based on a low-dimensional material: palladium selenide (PdSe₂). An order of magnitude performance enhancement was observed in photodetection based on PdSe₂/graphene heterojunction that resulted from the integration of graphene and enhanced the Seebeck effect. Under 0.1-THz and 0.3-THz irradiations, the device displays a stable and repeatable photoresponse at room temperature without bias. Furthermore, rapid rise (5.0 μs) and decay (5.4 μs) times are recorded under 0.1-THz irradiation. Our results demonstrate the promising prospect of the detector based on PdSe₂ in terms of air-stable, suitable sensitivity and speed, which may have great application in terahertz detection.     

单层n型MoS2/p型c-Si异质结太阳电池数值模拟

单层二硫化钼(MoS₂)是一种具有优异光电性能的半导体材料,在太阳能能量转换中表现出很大的应用潜力。本文基于AMPS模拟软件,对单层n型MoS₂/p型c-Si异质结太阳电池进行了数值模拟与分析。通过模拟优化,n型MoS₂的电子亲和能为3.75 eV、掺杂浓度为10¹⁸ cm^-3,p型c-Si的掺杂浓度为10¹⁷ cm^-3时,太阳电池能够取得最高22.1%的转换效率。最后模拟了n型MoS₂/p型c-Si异质结界面处的界面态对太阳电池性能的影响,发现界面态密度超过10¹¹ cm^-2·eV^-1时会严重影响太阳电池的光伏性能。     

Two-dimensional topological semimetals

The field of two-dimensional topological semimetals, which emerged at the intersection of two-dimensional materials and topological materials, has been rapidly developing in recent years. In this article, we briefly review the progress in this field. Our focus is on the basic concepts and notions, in order to convey a coherent overview of the field. Some material examples are discussed to illustrate the concepts. We discuss the outstanding problems in the field that need to be addressed in future research.     

声子晶体中SH波缺陷模的相干叠加理论

利用波的相干叠加原理推导出一维掺杂声子晶体中SH波缺陷模的透射率公式和频率公式,即建立了缺陷模的相干叠加法。将相干叠加法与转移矩阵法和共振理论进行了比较研究,结果表明缺陷模的相干叠加法具备转移矩阵法和共振理论各自的优点,又克服了转移矩阵法和共振理论各自的不足。相干叠加法是研究一维掺杂声子晶体中SH波缺陷模的一种更有效的方法。     

Two-Dimensional Germanium Sulfide Nanosheets as an Ultra-Stable and High Capacity Anode for Lithium Ion Batteries

Lithium ion batteries (LIBs) at present still suffer from low rate capability and poor cycle life during fast ion insertion/extraction processes. Searching for high-capacity and stable anode materials is still an ongoing challenge. Herein, a facile strategy for the synthesis of ultrathin GeS₂ nanosheets with the thickness of 1.1 nm is reported. When used as anodes for LIBs, the two-dimensional (2D) structure can effectively increase the electrode/electrolyte interface area, facilitate the ion transport, and buffer the volume expansion. Benefiting from these merits, the as-synthesized GeS₂ nanosheets deliver high specific capacity (1335 mAh g⁻¹ at 0.15 A g⁻¹), extraordinary rate performance (337 mAh g⁻¹ at 15 A g⁻¹) and stable cycling performance (974 mAh g⁻¹ after 200 cycles at 0.5 A g⁻¹). Importantly, our fabricated Li-ion full cells manifest an impressive specific capacity of 577 mAh g⁻¹ after 50 cycles at 0.1 A g⁻¹ and a high energy density of 361 Wh kg⁻¹ at a power density of 346 W kg⁻¹. Furthermore, the electrochemical reaction mechanism is investigated by the means of ex-situ high-resolution transmission electron microscopy. These results suggest that GeS₂ can use to be an alternative anode material and encourage more efforts to develop other high-performance LIBs anodes.     

Molybdenum Disulfide Based Nanomaterials for Rechargeable Batteries

The rapid development of electrochemical energy storage systems requires new electrode materials with high performance. As a two-dimensional material, molybdenum disulfide (MoS₂) has attracted increasing interest in energy storage applications due to its layered structure, tunable physical and chemical properties, and high capacity. In this review, the atomic structures and properties of different phases of MoS₂ are first introduced. Then, typical synthetic methods for MoS₂ and MoS₂-based composites are presented. Furthermore, the recent progress in the design of diverse MoS₂-based micro/nanostructures for rechargeable batteries, including lithium-ion, lithium-sulfur, sodium-ion, potassium-ion, and multivalent-ion batteries, is overviewed. Additionally, the roles of advanced in situ/operando techniques and theoretical calculations in elucidating fundamental insights into the structural and electrochemical processes taking place in these materials during battery operation are illustrated. Finally, a perspective is given on how the properties of MoS₂-based electrode materials are further improved and how they can find widespread application in the next-generation electrochemical energy-storage systems.