two-dimensional materials

二维材料
  • 文章类型: Journal Article
    光电逻辑器件(OELD)为许多视力受损的个体提供治疗。然而,传统的OELD有局限性,如过度的通道电阻和复杂的结构,导致高电源电压和降低信号传输效率。我们通过串联两个通道长度低于10nm的2DMoTe2晶体管来报告超低电压OELD。短沟道长度和原子平坦的界面导致低阻感光单元,其可以在低电源电压下操作并且在弱光条件下很好地运行。该器件实现了没有光信号输入的接通状态和在50mV的超低电源电压下输入光信号的关断状态,低于70mV的视网膜轴承电压。此外,MoTe2的优异光电特性允许该设备感知从可见光到近红外波长的光,对弱光信号具有高灵敏度。可见光强度的比感知为0.03mW·mm-2,近红外光强度为0.1mWmm-2。该设备还具有8毫秒的响应时间,满足人类需求。我们的发现为开发低压人造视网膜提供了一个有希望的解决方案。
    Optoelectronic logic devices (OELDs) provide a cure for many visually impaired individuals. However, traditional OELDs have limitations, such as excessive channel resistance and complex structure, leading to high supply voltage and decreased efficiency of signal transmission. We report ultralow-voltage OELDs by seriating two 2D MoTe2 transistors with sub-10 nm channel lengths. The short channel length and atomically flat interface result in a low-resistance light-sensing unit that can operate with a low supply voltage and function well in weak-light conditions. The devices achieve an on state without light signal input and an off state with light signal input at an ultralow supply voltage of 50 mV, lower than the retinal bearing voltage of 70 mV. Additionally, MoTe2\'s excellent optoelectronic properties allow the device to perceive light from visible to near-infrared wavelengths with high sensitivity to weak light signals. The specific perception of visible light intensity is 0.03 mW·mm-2, and the near-infrared light intensity is 0.1 mW mm-2. The device also has a response time of 8 ms, meeting human needs. Our findings provide a promising solution for developing low-voltage artificial retinas.
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  • 文章类型: Journal Article
    尽管三卤化铬被广泛认为是下一代设备的一类有前途的二维磁体,对它们的电子结构和磁相互作用的准确描述已被证明具有挑战性。这里,我们量化了CrX3中的电子激发和自旋相互作用(X=Cl,Br,I)使用嵌入式多体波函数计算和完全广义的自旋哈密顿量。我们发现三种三卤化物具有可比的d壳激发,由高自旋4A2(t2g3eg0)基态组成,位于第一激发态4T2(t2g2eg1)以下1.5-1.7eV。CrCl3表现出单离子各向异性Asia=-0.02meV,而Cr自旋3/2矩通过J1=-0.97meV和J2=-0.05meV的双线性和双二次交换相互作用铁磁耦合,分别。对于单离子各向异性,CrBr3和CrI3的相应值增加到Asia=-0.08meV和Asia=-0.12meV,J1=-1.21meV,J2=-0.05meV,J1=-1.38meV,交换联轴器的J2=-0.06meV,分别。我们发现,由于磁偶极子-偶极子相互作用,总体磁各向异性由Asia和A倾角之间的相互作用定义,磁偶极子-偶极子相互作用有利于铁磁性单层和块状层状磁体中磁矩的面内取向。两个贡献之间的竞争将CrCl3和CrI3设置为易平面(AsiaA倾角>0)和易轴(AsiaA倾角<0)铁磁体,分别。磁体之间的差异可以追溯到卤素配体的原子半径和自旋轨道耦合的大小。我们的发现与最近的实验非常吻合,从而为三卤化铬的基本相互作用提供参考值。
    Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure and magnetic interactions has proven challenging to achieve. Here, we quantify electronic excitations and spin interactions in CrX 3 (X = Cl, Br, I) using embedded many-body wavefunction calculations and fully generalized spin Hamiltonians. We find that the three trihalides feature comparable d-shell excitations, consisting of a high-spin 4 A 2 ( t 2 g 3 e g 0 ) ground state lying 1.5-1.7 eV below the first excited state 4 T 2 ( t 2 g 2 e g 1 ). CrCl3 exhibits a single-ion anisotropy A sia = - 0.02 meV, while the Cr spin-3/2 moments are ferromagnetically coupled through bilinear and biquadratic exchange interactions of J 1 = - 0.97 meV and J 2 = - 0.05 meV, respectively. The corresponding values for CrBr3 and CrI3 increase to A sia = -0.08 meV and A sia= - 0.12 meV for the single-ion anisotropy, J 1 = -1.21 meV, J 2 = -0.05 meV and J 1 = -1.38 meV, J 2 = -0.06 meV for the exchange couplings, respectively. We find that the overall magnetic anisotropy is defined by the interplay between A sia and A dip due to magnetic dipole-dipole interaction that favors in-plane orientation of magnetic moments in ferromagnetic monolayers and bulk layered magnets. The competition between the two contributions sets CrCl3 and CrI3 as the easy-plane (A sia + A dip >0) and easy-axis (A sia + A dip <0) ferromagnets, respectively. The differences between the magnets trace back to the atomic radii of the halogen ligands and the magnitude of spin-orbit coupling. Our findings are in excellent agreement with recent experiments, thus providing reference values for the fundamental interactions in chromium trihalides.
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  • 文章类型: Journal Article
    癌症研究的最新进展导致了创新纳米材料的产生,以改善诊断和治疗策略。尽管二维(2D)二硫化钼(MoS2)作为生物医学应用中的通用平台具有被证明的潜力,很少有评论文章关注基于MoS2的癌症治疗平台。这篇综述旨在通过全面概述2DMoS2癌症疗法的最新进展和该领域的新兴策略来填补这一空白。这篇综述强调了2DMoS2在单模型成像和治疗中的潜在应用。包括荧光成像,光声成像,光热疗法,和催化疗法。这篇综述进一步分类了2DMoS2在多模态成像中用于诊断和协同治疗平台的潜力。特别是,这篇综述强调了2DMoS2作为集成药物递送系统的进展,涵盖了从化疗和基因治疗到免疫疗法和光动力疗法的广泛治疗策略。最后,这篇综述讨论了在满足晚期癌症诊断和治疗应用的不同需求方面当前面临的挑战和未来的前景.
    Recent advancements in cancer research have led to the generation of innovative nanomaterials for improved diagnostic and therapeutic strategies. Despite the proven potential of two-dimensional (2D) molybdenum disulfide (MoS2) as a versatile platform in biomedical applications, few review articles have focused on MoS2-based platforms for cancer theranostics. This review aims to fill this gap by providing a comprehensive overview of the latest developments in 2D MoS2 cancer theranostics and emerging strategies in this field. This review highlights the potential applications of 2D MoS2 in single-model imaging and therapy, including fluorescence imaging, photoacoustic imaging, photothermal therapy, and catalytic therapy. This review further classifies the potential of 2D MoS2 in multimodal imaging for diagnostic and synergistic theranostic platforms. In particular, this review underscores the progress of 2D MoS2 as an integrated drug delivery system, covering a broad spectrum of therapeutic strategies from chemotherapy and gene therapy to immunotherapy and photodynamic therapy. Finally, this review discusses the current challenges and future perspectives in meeting the diverse demands of advanced cancer diagnostic and theranostic applications.
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  • 文章类型: Journal Article
    辐射对基于MoS2的器件的影响是在辐射敏感环境中利用基于二维半导体的技术的重要因素。在这项研究中,研究了伽玛辐照对具有掩埋局部背栅结构的MoS2场效应晶体管中电学变化的影响,并分析了它们对Al2O3栅介质和MoS2/Al2O3界面的相关影响。分析了辐照前后的传输和输出特性。在3kGy的暴露下,电流水平下降了15.7%。此外,在1、2和3kGy的辐照下,观察到0.50、0.99和1.15V的阈值电压正偏移,分别,与非辐照设备相比。这种行为可归因于MoS2侧附近Al2O3介电界面中空穴积累和界面处电子俘获位点形成的综合影响,这增加了MoS2沟道/电介质界面处的电子隧穿。
    The impact of radiation on MoS2-based devices is an important factor in the utilization of two-dimensional semiconductor-based technology in radiation-sensitive environments. In this study, the effects of gamma irradiation on the electrical variations in MoS2 field-effect transistors with buried local back-gate structures were investigated, and their related effects on Al2O3 gate dielectrics and MoS2/Al2O3 interfaces were also analyzed. The transfer and output characteristics were analyzed before and after irradiation. The current levels decreased by 15.7% under an exposure of 3 kGy. Additionally, positive shifts in the threshold voltages of 0.50, 0.99, and 1.15 V were observed under irradiations of 1, 2, and 3 kGy, respectively, compared to the non-irradiated devices. This behavior is attributable to the comprehensive effects of hole accumulation in the Al2O3 dielectric interface near the MoS2 side and the formation of electron trapping sites at the interface, which increased the electron tunneling at the MoS2 channel/dielectric interface.
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  • 文章类型: Journal Article
    红宝石晶格是紧密结合模型之一,在其电子结构中具有平带,并在未来的自旋电子学和量子器件中具有潜在的应用。然而,在现实材料中的红宝石晶格的实验实现仍然难以捉摸。这里,通过在Au(111)衬底上制造单层CuCl1x,我们已经通过实验实现了原子红宝石晶格。扫描隧道显微镜/光谱(STM/STS)测量与密度泛函理论(DFT)计算相结合,表明Cu原子在该单层中以红宝石晶格排列。此外,观察到与红宝石系统的特征相对应的重要状态密度(DOS)峰,与紧密结合模型和第一原理计算的能带结构一致。我们的工作为探索红宝石模型的物理学提供了一个有前途的平台。
    The ruby lattice is one of the tight-binding models which hosts a flat band in its electronic structure and has potential applications in future spintronics and quantum devices. However, the experimental realization of a ruby lattice in realistic materials remains elusive. Here, we have experimentally realized an atomic ruby lattice by fabricating monolayer CuCl1+x on a Au(111) substrate. Scanning tunneling microscopy/spectra (STM/STS) measurements combined with density-functional theory (DFT) calculations reveal that the Cu atoms are arranged in a ruby lattice in this monolayer. Moreover, a significant density of states (DOS) peak corresponding to the characteristic of a ruby system is observed, consistent with both the tight-binding model and first-principles calculations on the band structure. Our work provides a promising platform to explore the physics of the ruby model.
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  • 文章类型: Journal Article
    我们研究了水和疏水性溶质在范德华双层和堆叠石墨烯形成的异质结构上的界面传输,hBN,和MoS2使用广泛的从头算分子动力学模拟。通过结合流体动力学和疏水效应理论,我们计算了界面处疏水颗粒的水滑移和扩散渗透传输系数。我们发现,滑移主要是与水直接接触的层,而第二层仅略有改变,导致所谓的“滑动不透明”。横向力的筛选,液体感觉不到来自第二层的力,是导致我们系统中“滑动不透明度”的因素之一。小疏水物(半径小于2.5µ)的扩散渗透运输也受滑动不透明度的影响,通过滑动显着增强。此外,扩散渗透流动的方向受溶质大小控制,对于较小的疏水物,流动方向与浓度梯度相反,对于较大的,反之亦然。我们将我们的发现与二维材料的润湿特性联系起来,并且我们建议可以分别控制滑移和润湿:而滑移主要由更靠近水的层决定,润湿可以通过堆叠不同的二维材料进行微调。我们的研究推进了二维材料和范德华异质结构的计算设计,在涂料和水净化膜的应用中,能够精确控制润湿和滑动性能。
    We investigate the interfacial transport of water and hydrophobic solutes on van der Waals bilayers and heterostructures formed by stacking graphene, hBN, and MoS2 using extensive ab initio molecular dynamics simulations. We compute water slippage and the diffusio-osmotic transport coefficient of hydrophobic particles at the interface by combining hydrodynamics and the theory of the hydrophobic effect. We find that slippage is dominated by the layer that is in direct contact with water and only marginally altered by the second layer, leading to a so-called \"slip opacity\". The screening of the lateral forces, where the liquid does not feel the forces coming from the second nearest layer, is one of the factors leading to the \"slip opacity\" in our systems. The diffusio-osmotic transport of small hydrophobes (with a radius below 2.5 Å) is also affected by the slip opacity, being dramatically enhanced by slippage. Furthermore, the direction of diffusio-osmotic flow is controlled by the solute size, with the flow in the opposite direction of the concentration gradient for smaller hydrophobes, and vice versa for larger ones. We connect our findings to the wetting properties of two-dimensional materials, and we propose that slippage and wetting can be controlled separately: whereas the slippage is mostly determined by the layer in closer proximity to water, wetting can be finely tuned by stacking different two-dimensional materials. Our study advances the computational design of two-dimensional materials and van der Waals heterostructures, enabling precise control over wetting and slippage properties for applications in coatings and water purification membranes.
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  • 文章类型: Journal Article
    源自层状锡的Stanene纳米点(SnND)由于其可方便调节的带隙和拓扑超导性而引起了人们的极大兴趣。然而,由于层间距短和结合能强,超薄SnND的高产率剥离仍然是一个挑战。在这项工作中,通过利用咪唑鎓离子液体辅助剥离,成功制备了均匀尺寸为2.3nm的原子薄SnND。获得的SnND具有2.69eV的宽带隙,以及显著的溶剂相容性(良好地分散在极性和非极性溶剂中)和优异的稳定性。此外,我们构建了基于Ir(ppy)3的绿色OLED,其中杂化的SnND和氧化石墨烯(GO)作为空穴注入层(HIL)。证明了SnND的应用有助于调节功函数和钝化GO的表面缺陷,增加空穴迁移率,从而提高器件性能。与基于PEDOT:PSS的控制装置相比,优化的基于SnNDs-GO的OLED在电流效率(CE)方面提高了6.56、41.06和8.16%,功率效率(PE),和外部量子效率(EQE),分别。这项工作不仅引入了一种制备2DSnND的新方法,而且还为OLED器件创造了一种新型HIL材料。
    Stanene nanodots (SnNDs) derived from layered tin have attracted considerable interest due to their conveniently tunable bandgap and topological superconductivity. However, high-yield exfoliation of ultrathin SnNDs is still a challenge due to the short layer spacing and strong binding energy. In this work, atomically thin SnNDs with a uniform size of 2.3 nm are successfully prepared by utilizing imidazolium ionic liquid-assisted exfoliation. The obtained SnNDs possess a wide bandgap of 2.69 eV, along with notable solvent compatibility (well dispersed in both polar and nonpolar solvents) and excellent stability. Furthermore, we construct Ir(ppy)3-based green OLED with hybridizing SnNDs and graphene oxide (GO) as the hole injection layer (HIL). It proves that the application of SnNDs helps to modulate the work function and passivate surface defects of GO, increasing hole mobility and thereby improving the device performance. Compared to the PEDOT:PSS-based control device, the optimized SnNDs-GO-based OLED demonstrates an improvement of 6.56, 41.06, and 8.16% in current efficiency (CE), power efficiency (PE), and external quantum efficiency (EQE), respectively. This work not only introduces a new approach to preparing 2D SnNDs but also creates a novel HIL material for OLED devices.
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  • 文章类型: Journal Article
    铁电Rashba半导体(FRS)对电子自旋的非易失性电控制的潜在能力提出了很高的要求。理想的FRS的特征是室温铁电性和强烈的Rashba效应的结合,其中有,然而,很少报道。在这里,我们通过在室温铁电In2Se3单层上垂直堆叠Sb单层来设计室温FRS。我们的第一性原理计算表明,Sb/In2Se3异质结构在费米能级附近表现出清晰的Rashba分裂带,以及与铁电阶耦合的强Rashba效应。切换电极化方向增强了Rashba效应,在22meV的低能垒下翻转是可行的。这种Rashba-铁电性耦合效应对异质结构界面距离和外部电场的变化具有鲁棒性。这种在室温下的非易失性电可调Rashba效应使得能够在在小电流下操作的下一代数据存储和逻辑器件中进行潜在应用。
    Ferroelectric Rashba semiconductors (FRS) are highly demanded for their potential capability for nonvolatile electric control of electron spins. An ideal FRS is characterized by a combination of room temperature ferroelectricity and a strong Rashba effect, which has, however, been rarely reported. Herein, we designed a room-temperature FRS by vertically stacking a Sb monolayer on a room-temperature ferroelectric In2Se3 monolayer. Our first-principles calculations reveal that the Sb/In2Se3 heterostructure exhibits a clean Rashba splitting band near the Fermi level and a strong Rashba effect coupled to the ferroelectric order. Switching the electric polarization direction enhances the Rashba effect, and the flipping is feasible with a low energy barrier of 22 meV. This Rashba-ferroelectricity coupling effect is robust against changes of the heterostructure interfacial distance and external electric fields. Such a nonvolatile electrically tunable Rashba effect at room temperature enables potential applications in next-generation data storage and logic devices operated under small electrical currents.
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  • 文章类型: Journal Article
    在本文中,证明了获得过渡金属氧化物(TMO)热电单层的新策略。我们表明,TMO热电单层可以通过用簇代替过渡金属原子来实现,由具有丰富价电子的重跃迁原子组成。具体来说,XO2中的过渡金属原子(X=Ti,Zr,Hf)单层被[Ag6]4+簇取代,获得了稳定的Ag6O2结构。由于[Ag6]4+团簇单元中存在丰富的价电子,n型Ag6O2具有高导电性,这导致了令人满意的功率因数。更重要的是,Ag6O2的声子热导率极低,为0.16W·m-1·K-1,是热电材料中的最低值之一。深入研究发现,极低的值源于[Ag6]4团簇单元的强声子非谐性和弱金属键。由于令人满意的功率因数和超低的声子热导率,Ag6O2在300-700K时具有高ZT,ZT最大值为3.77,对应的能量转换效率为22.24%。我们的结果表明,用适当的簇代替过渡金属原子是获得TMO热电单层的好方法。
    In this paper, a new strategy to obtain a transition-metal oxide (TMO) thermoelectric monolayer is demonstrated. We show that the TMO thermoelectric monolayer can be achieved by the replacement of a transition-metal atom with a cluster, which is composed of heavy transition atoms with abundant valence electrons. Specifically, the transition-metal atom in the XO2 (X = Ti, Zr, Hf) monolayer is replaced by the [Ag6]4+ cluster and a stable structure Ag6O2 is achieved. Due to the abundant valence electrons in the [Ag6]4+ cluster unit, n-type Ag6O2 has high electrical conductivity, which leads to a satisfactory power factor. More importantly, Ag6O2 has an extremely low phonon thermal conductivity of 0.16 W·m-1·K-1, which is one of the lowest values in thermoelectric materials. An in-depth study reveals that the extremely low value originates from the strong phonon anharmonicity and weak metal bond of the [Ag6]4+ cluster unit. Due to the satisfactory power factor and ultralow phonon thermal conductivity, Ag6O2 has high ZT at 300-700 K, and the maximum ZT is 3.77, corresponding to an energy conversion efficiency of 22.24%. Our results demonstrate that replacement of the transition-metal atom by an appropriate cluster is a good way to obtain a TMO thermoelectric monolayer.
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  • 文章类型: Journal Article
    氧化还原活性金属有机骨架(MOF)是非常有前途的材料,因为它们具有潜在的合成后改性能力,旨在调整其应用性能。然而,与氧化还原活性MOFs相关的研究领域还相对不发达,这限制了它们的实际应用。我们研究了Cr(II)离子和间苯二甲酸(m-bdc)接头的自组装过程,先前已证明可产生0D金属有机多面体。然而,使用扩散控制的合成方法,我们演示了2D层状Cr(II)基MOF材料[Cr(m-bdc)]·H2O(1·H2O)的选择性制备。值得注意的是,使用一氧化氮或干燥氧气对开发的2DMOF进行受控氧化,导致改性的多孔材料具有出色的H2/N2吸附选择性。
    Redox-active metal-organic frameworks (MOFs) are very promising materials due to their potential capabilities for postsynthetic modification aimed at tailoring their application properties. However, the research field related to redox-active MOFs is still relatively underdeveloped, which limits their practical application. We investigated the self-assembly process of Cr(II) ions and isophthalate (m-bdc) linkers, which have been previously demonstrated to yield 0D metal-organic polyhedra. However, using the diffusion-controlled synthetic approach, we demonstrate the selective preparation of a 2D-layered Cr(II)-based MOF material [Cr(m-bdc)]·H2O (1·H2O). Remarkably, the controlled oxidation of the developed 2D MOF using nitric oxide or dry oxygen resulted in modified porous materials with excellent H2/N2 adsorption selectivities.
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