Exciton-dielectric mode coupling in MoS2 nanoflakes visualized by cathodoluminescence

Two-dimensional (2D) transition metal dichalcogenides (TMDCs), possessing unique exciton luminescence properties, have attracted significant attention for use in optical and electrical devices. TMDCs are also high refractive index materials that can strongly confine the electromagnetic field in nanoscale dimensions when patterned into nanostructures, thus resulting in complex light emission that includes exciton and dielectric resonances. Here, we use cathodoluminescence (CL) to experimentally visualize the emission modes of single molybdenum disulfide (MoS2) nanoflakes and to investigate luminescence enhancement due to dielectric resonances in nanoscale dimensions, by using a scanning transmission electron microscope. Specifically, we identify dielectric modes whose resonant wavelength is sensitive to the shape and size of the nanoflake, and exciton emission peaks whose energies are insensitive to the geometry of the flakes. Using a four-dimensional CL method and boundary element method simulations, we further theoretically and experimentally visualize the emission polarization and angular emission patterns, revealing the coupling of the exciton and dielectric resonant modes. Such nanoscopic observation provides a detailed understanding of the optical responses of MoS2 including modal couplings of excitons and dielectric resonances which play a crucial role in the development of energy conversion devices, single-photon emitters, and nanophotonic circuits with enhanced light-matter interactions.

Using Your Beam Efficiently: Reducing Electron Dose in the STEM via Flyback Compensation

In the scanning transmission electron microscope, fast-scanning and frame-averaging are two widely used approaches for reducing electron-beam damage and increasing image signal noise ratio which require no additional specialized hardware. Unfortunately, for scans with short pixel dwell-times (less than 5 μs), line flyback time represents an increasingly wasteful overhead. Although beam exposure during flyback causes damage while yielding no useful information, scan coil hysteresis means that eliminating it entirely leads to unacceptably distorted images. In this work, we reduce this flyback to an absolute minimum by calibrating and correcting for this hysteresis in postprocessing. Substantial improvements in dose efficiency can be realized (up to 20%), while crystallographic and spatial fidelity is maintained for displacement/strain measurement.

Reveal Hydrogen Behavior at Grain Boundaries in Fe–22Mn–0.6C TWIP Steel via In Situ Micropillar Compression Test

In this study, the effect of hydrogen on dislocation and twinning behavior along various grain boundaries in a high-manganese twinning-induced plasticity steel was investigated using an in situ micropillar compression test. The compressive stress in both elastic and plastic regimes was increased with the presence of hydrogen. Further investigation by transmission electron backscatter diffraction and scanning transmission electron microscope demonstrated that hydrogen promoted both dislocation multiplication and twin formation, which resulted in higher stress concentration at twin–twin and twin–grain boundary intersections.

High-Resolution Microstructure Characterization of Additively Manufactured X5CrNiCuNb17-4 Maraging Steel during Ex and In Situ Thermal Treatment

Powder and selective laser melting (SLM) additively manufactured parts of X5CrNiCuNb17-4 maraging steel were systematically investigated by electron microscopy to understand the relationship between the properties of the powder grains and the microstructure of the printed parts. We prove that satellites, irregularities and superficial oxidation of powder particles can be transformed into an advantage through the formation of nanoscale (AlMnSiTiCr) oxides in the matrix during the printing process. The nano-oxides showed extensive stability in terms of size, spherical morphology, chemical composition and crystallographic disorder upon in situ heating in the scanning transmission electron microscope up to 950 °C. Their presence thus indicates a potential for oxide-dispersive strengthening of this steel, which may be beneficial for creep resistance at elevated temperatures. The nucleation of copper clusters and their evolution into nanoparticles, and the precipitation of Ni and Cr particles upon in situ heating, have been systematically documented as well.

Thermal Stability of the Copper and the AZO Layer on Textured Silicon

Transparent conductive oxide (TCO) film is the most widely used front electrode in silicon heterojunction (SHJ) solar cells. A copper metallization scheme can be applied to the SHJ process. The abundance of zinc in the earth’s crust makes aluminum-doped zinc oxide (AZO) an attractive low-cost substitute for indium-based TCOs. No work has focused on the properties of the copper and AZO layers on the textured silicon for solar cells. This work deposited an aluminum-doped zinc oxide layer and copper metal layer on textured (001) silicon by a sputtering to form Cu/AZO/Si stacks. The structures of Cu/AZO/Si are characterized by scanning electron microscope (SEM), scanning transmission electron microscope (STEM), and energy-dispersive X-ray spectrometer (EDS). The results show that the copper thin film detached from AZO in the valley of the textured silicon substrate at a temperature of 400 °C. Additionally, the gap between the copper and AZO layers increases as temperature increases, and the 65 nm thickness AZO layer was found to be preserved up to 800 °C.

Electrochemical Formation of Elemental Boron in LiCl–KCl–KBF4 at 723 K

The electrochemical reduction behavior of B(III) ions was investigated in LiCl–KCl–KBF4 at 723 K. The results of cyclic voltammetry using Mo, Ag, and Ni electrodes suggested the reduction of B(III) to B(0) at potentials of 1.5 V or at a more negative potential (vs. Li+/Li). Spherical electrodeposits were observed after potentiostatic electrolysis at 1.1–1.5 V. From the results of X-ray photoelectron spectroscopy, scanning transmission electron microscope/energy-dispersive X-ray spectroscopy (STEM/EDX), and selected area electron diffraction, it was concluded that the spherical electrodeposits obtained at 1.1 V were elemental amorphous boron. The purity of the products was 85 wt% boron, as determined by STEM/EDX analysis. The current efficiency of elemental B electrodeposition was 96.2% in this system. The formation of Ni2B at 1.1–1.9 V was indicated by X-ray diffraction, although it was not the main product. These results indicate that the presence of B(III) ions in a melt causes a fatal adverse effect on the recycling process of Nd–Fe–B magnets due to the reduction of B(III) ions. Further, the possibility of reducing the energy and cost of the elemental boron production process was discussed.

Experimental observation of localized interfacial phonon modes

Interfaces impede heat flow in micro/nanostructured systems. Conventional theories for interfacial thermal transport were derived based on bulk phonon properties of the materials making up the interface without explicitly considering the atomistic interfacial details, which are found critical to correctly describing thermal boundary conductance. Recent theoretical studies predicted the existence of localized phonon modes at the interface which can play an important role in understanding interfacial thermal transport. However, experimental validation is still lacking. Through a combination of Raman spectroscopy and high-energy-resolution electron energy-loss spectroscopy in a scanning transmission electron microscope, we report the experimental observation of localized interfacial phonon modes at ~12 THz at a high-quality epitaxial Si-Ge interface. These modes are further confirmed using molecular dynamics simulations with a high-fidelity neural network interatomic potential, which also yield thermal boundary conductance agreeing well with that measured in time-domain thermoreflectance experiments. Simulations find that the interfacial phonon modes have an obvious contribution to the total thermal boundary conductance. Our findings significantly contribute to the understanding of interfacial thermal transport physics and have impact on engineering thermal boundary conductance at interfaces in applications such as electronics thermal management and thermoelectric energy conversion.

High-Resolution Microstructure Characterization of Additively Manufactured X5CrNiCuNb17-4 Maraging Steel during Ex and in Situ Thermal Treatment

Powder and SLM additively manufactured parts of X5CrNiCuNb17-4 maraging steel were systematically investigated by electron microscopy to understand the relationship between the properties of the powder grains and the microstructure of the printed parts. We prove that satellites, irregularities and superficial oxidation of powder particles can be transformed into an advantage through the formation of nanoscale (AlMnSiTiCr)-oxides in the matrix during the printing process. The nano-oxides showed extensive stability in terms of size, spherical morphology, chemical composition and crystallographic disorder upon in situ heating up to 950°C in the scanning transmission electron microscope. Their presence thus indicates a potential for oxide-dispersive strengthening of this steel, which may be beneficial for creep resistance at elevated temperatures. The nucleation of copper clusters and their evolution into nanoparticles as well as the precipitation of Ni and Cr particles upon in situ heating have as well been systematically documented.

Exploring electron beam induced atomic assembly via reinforcement learning in a molecular dynamics environment

Atom-by-atom assembly of functional materials and devices is perceived as one of the ultimate targets of nanotechnology. Recently it has been shown that the beam of a scanning transmission electron microscope can be used for targeted manipulation of individual atoms. However, the process is highly dynamic in nature rendering control difficult. One possible solution is to instead train artificial agents to perform the atomic manipulation in an automated manner without need for human intervention. As a first step to realizing this goal, we explore how artificial agents can be trained for atomic manipulation in a simplified molecular dynamics environment of graphene with Si dopants, using reinforcement learning. We find that it is possible to engineer the reward function of the agent in such a way as to encourage formation of local clusters of dopants under different constraints. This study shows the potential for reinforcement learning in nanoscale fabrication, and crucially, that the dynamics learned by agents encode specific elements of important physics that can be learned.