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Monolayer (ML) Janus III-VI compounds have attracted the use of multiple competitive platforms for future-generation functional electronics, including non-volatile memories, field effect transistors, and sensors. In this work, the electronic and interfacial properties of ML Ga2STe-metal (Au, Ag, Cu, and Al) contacts are systematically investigated using first-principles calculations combined with the non-equilibrium Green's function method. The ML Ga2STe-Au/Ag/Al contacts exhibit weak electronic orbital hybridization at the interface, while the ML Ga2STe-Cu contact exhibits strong electronic orbital hybridization. The Te surface is more conducive to electron injection than the S surface in ML Ga2STe-metal contact. Quantum transport calculations revealed that when the Te side of the ML Ga2STe is in contact with Au, Ag and Cu electrodes, p-type Schottky contacts are formed. When in contact with the Al electrode, an n-type Schottky contact is formed with an electron SBH of 0.079 eV. When the S side of ML Ga2STe is in contact with Au and Al electrodes, p-type Schottky contacts are formed, and when it is in contact with Ag and Cu electrodes, n-type Schottky contacts are formed. Our study will guide the selection of appropriate metal electrodes for constructing ML Ga2STe devices.
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Plasmonic-enhanced photocatalysis using visible light is considered a promising strategy for pollution photodegradation. However, there is still a lack of comprehensive and quantitative understanding of the underlying mechanisms and interactions involved. In this study, we employed a two-step process to fabricate arrays of ZnO nanosheets decorated with Au nanoparticles (Au-ZnO NS). Various characterization techniques were used to examine the morphological, structural, and chemical properties of the fabricated Au-ZnO NS array. Furthermore, we systematically investigated the photocatalytic degradation of methyl orange under visible light irradiation using Au-ZnO NS arrays prepared with varying numbers of photochemical reduction cycles. The results indicated that as the number of photochemical reduction cycles increased, the photodegradation efficiency initially increased but subsequently decreased. Under visible light irradiation, the Au-ZnO NS array obtained via four cycles of photochemical reduction exhibits the highest photocatalytic degradation rate of methyl orange 0.00926 min-1, which is six times higher than that of the ZnO NS array. To gain a better understanding of the plasmonic effect on photodegradation performance, we utilized electromagnetic simulations to quantitatively investigate the enhancement of electric fields in the Au-ZnO NS array. The simulations clearly presented the nonlinear dependencies of electric field intensity on the distribution of Au nanoparticles and the wavelength of radiation light, leading to a nonlinear enhancement of hot electron injection and eventual plasmonic photodegradation. The simulated model, corresponding to four cycles of photochemical reduction, exhibits the highest electric field intensity at 550 nm, which can be attributed to its strong plasmonic effect. This work provides mechanistic insights into plasmonic photocatalysts for utilizing visible light and represents a promising strategy for the rational design of high-performance visible light photocatalysts.
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2D materials are now at the forefront of state-of-the-art nanotechnologies due to their fascinating properties and unique structures. As expected, low-cost, high-volume, and high-quality 2D materials play an important role in the applications of flexible devices. Although considerable progress has been achieved in the integration of a series of novel 2D materials beyond graphene into flexible devices, a lot remains to be known. At this stage of their development, the key issues concern how to make further improvements to high-performance and scalable-production. Herein, recent progress in the quest to improve the current state of the art for 2D materials beyond graphene is reviewed. Namely, the properties and synthesis techniques of 2D materials are first introduced. Then, both the advantages and challenges of these 2D materials for flexible devices are also highlighted. Finally, important directions for future advancements toward efficient, low-cost, and stable flexible devices are outlined.
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Sequence plays an important role in self-assembly of 3D complex structures, particularly for those with overlap, intersection, and asymmetry. However, it remains challenging to program the sequence of self-assembly, resulting in geometric and topological constrains. In this work, a nanoscale, programmable, self-assembly technique is reported, which uses electron irradiation as "hands" to manipulate the motion of nanostructures with the desired order. By assigning each single assembly step in a particular order, localized motion can be selectively triggered with perfect timing, making a component accurately integrate into the complex 3D structure without disturbing other parts of the assembly process. The features of localized motion, real-time monitoring, and surface patterning open the possibility for the further innovation of nanomachines, nanoscale test platforms, and advanced optical devices.
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To widen the detection wavelength range and improve the detection sensitivity of SiC-based optoelectronic devices, the SiC/Ge/graphene heterojunction was fabricated by using wet transfer of the graphene following chemical vapor deposition. The Ge films on 4H-SiC(0001) have polycrystalline structure with nano-wire (NWs) and submicron spherical island (SIs) features. Due to the distinct light trapping effect of the Ge NWs, the SiC/GeNWs/graphene heterojunction has an absorbance of more than 90% in the 500-1600 nm range, which is higher than the SiC/GeSIs/graphene heterojunction. And the SiC/GeNWs/graphene heterojunction photodetector exhibits rectification ratio up to 25 at ±2 V and stable photoresponse to the NIR light at zero voltage bias.
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Electrochemical synthesis of NH3 from N2 utilizing single-atom catalysts (SACs) is a promising strategy for industrial nitrogen fixation and chemical raw material production. In this work, single transition metals (TMs) anchored on pyrazine-based graphene (TM@py-GY) are systematically studied to screen potential electrocatalysts for the nitrogen reduction reaction (NRR) using first-principles calculations. Particularly, the descriptor φ related to electronegativity and valence electron number is selected to clarify the trend of NRR activity, realizing a fast-scan/estimation among various candidates. After a four-step screening process, WI@py-GY and MoII@py-GY SACs are screened with good structural stability, high selectivity, and high activity. Meanwhile, the thermodynamic stability of WI@py-GY and MoII@py-GY SACs is demonstrated to ensure their feasibility in real experimental conditions. Furthermore, electronic properties are also examined in detail to analyze activity origin. This work not only provides an effective and reliable method for screening electrochemical NRR catalysts with excellent performance but also provides guidance for the rational design of SACs.
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The development of low-dimensional multifunctional devices has become increasingly important as the size of field-effect transistors decreases. In recent years, the two-dimensional (2D) semiconductor In2Se3 has emerged as a promising candidate for applications in the fields of electronics and optoelectronics owing to its remarkable spontaneous polarization properties. Through first-principles calculations, the effects of the polarization direction and biaxial tensile strain on the electronic and contact properties of In2Se3/Au heterostructures are investigated. The contact type of In2Se3/Au heterostructures depends on the polarization direction of In2Se3. The more charge transfers from the metal to the space charge region, the biaxial tensile strain increases. Moreover, the upward polarized In2Se3 in contact with Au maintains a constant n-type Schottky contact as the biaxial tensile strain increases, with a barrier height Φ SB,n of only 0.086 eV at 6% strain, which is close to ohmic contact. On the other hand, the downward polarized In2Se3 in contact with Au can be transformed from p-type to n-type by applying a biaxial tensile strain. Our calculation results can provide a reference for the design and fabrication of In2Se3-based field effect transistors.
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In recent years, the two-dimensional (2D) semiconductor α-In2Se3 has great potential for applications in the fields of electronics and optoelectronics due to its spontaneous iron electrolysis properties. Through ab initio electronic structure calculations and quantum transport simulations, the interface properties and transport properties of α-In2Se3/Au contacts with different polarization directions are studied, and a two-dimensional α-In2Se3 asymmetric metal contact design is proposed. When α-In2Se3 is polarized upward, it forms an n-type Schottky contact with Au. While when α-In2Se3 is polarized downward, it forms a p-type Schottky contact with Au. More importantly, significant rectification effect is found in the asymmetric Au/α-In2Se3/Au field-effect transistor. The carrier transports under positive and negative bias voltages are found to be dominated by thermionic excitation and tunneling, respectively. These findings provide guidance for the further design of 2D α-In2Se3-based transistors.
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Focal spot (light spot) at single-photon level have important applications in many fields. This report demonstrates a method for measuring focal spot size at the single-photon level indirectly. This method utilizes Silicon Photomultiplier (SiPM) as the single-photon sensitive detectors, combined with a nano-positioning stage. The approach involves one- or two-dimensional space scanning and a deconvolution operation, which enable evaluations of the size and spatial distribution of the focal spot formed by a single-photon-level pulsed laser. The results indicate that the average full width at half maximum of the focal spot is about 0.657 µm, which is close to the nominal resolution of the objective lens of the microscope (i.e. 0.42 µm). The proposed method has two key advantages: (1) it can measure focal spot at the single-photon level, and (2) the focal spot can easily be aligned with the detector because the array area of the Geiger mode avalanche photodiode (Gm-APD) cells in SiPM is usually on the order of square millimeter, and there is no need to put an optical slit, knife edge, or pinhole in front of the detector. The method described herein is applicable in weak focal spot detection related fields.
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Controlling the shape and internal strain of nanowires (NWs) is critical for their safe and reliable use and for the exploration of novel functionalities of nanodevices. In this work, transmission electron microscopy was employed to examine bent Si NWs prepared by asymmetric electron-beam evaporation. The asymmetric deposition of Cr caused the formation of nanosized amorphous-Si domains; the non-crystallinity of the Si NWs was controlled by the bending radius. No other intermediate crystalline phase was present during the crystalline-to-amorphous transition, indicating a direct phase transition from the original crystalline phase to the amorphous phase. Moreover, amorphous microstructures caused by compressive stress, such as amorphous Cr domains and boxes, were also observed in the asymmetric Cr layer used to induce bending, and the local non-crystallinity of Cr was lower than that of Si under the same bending radius.
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The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL) on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001) Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 <21-1> at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm², the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm². Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.