This study explores the impact of rapid thermal annealing (RTA) on InxGa1-xN x Ga 1-x N grown over Si(111) by molecular beam epitaxy (MBE). Through X-ray diffraction (XRD) and reciprocal space map (RSM) characterization, notable shifts in diffraction peaks were observed post-annealing, suggesting alterations of the Indium content in the nanostructures. Morphological assessments using scanning electron microscopy (SEM) and atomic force microscopy (AFM) indicated that RTA could smooth the surface of the samples, though some instances of degradation were also noted. Energy-dispersive X-ray spectroscopy (EDS) showed further stoichiometric modification following annealing. Photoluminescence spectroscopy (PL) revealed notable shifts and increases in the intensity of the InxGa1-xN x Ga 1-x N peaks, indicating the formation of regions with high Indium or Gallium concentration. The presence of these enriched regions was particularly evident from the peaks at around 540 nm and 433 nm, suggesting significant changes in the material's composition. Transmission electron microscopy combined with electron energy loss spectroscopy (TEMEELS) corroborated the presence of In-rich and Ga-rich areas, affirming the phenomenon of Indium surface segregation. So, this study contributes to understanding the behavior of InxGa1-xN x Ga 1-x N nanostructures under rapid thermal annealing, providing insights for advanced optoelectronic applications.

Grain boundary (GB) mass transport, and chemistry exert a pronounced influence on both the performance and stability of electrodes for solid oxide electrochemical cells. Lanthanum strontium cobalt ferrite (LSCF6428) is applied as a model mixed ionic and electronic conducting (MIEC) perovskite oxide. The cation-vacancy distribution at the GBs is studied at both single and multi-grain scales using high-resolution characterization techniques and computational approaches. The accumulation of oxygen vacancies ( V O · · $V_O^{ \cdot \cdot }$ ) in the GB region, rather than necessarily at the GB core, results in an enhancement of the oxygen diffusivity by 3 - 4 orders of magnitude along the GBs (Dgb). At 350 °C, the oxygen tracer diffusion coefficient (D*) is measured as 2.5 × 10-14 cm2 s-1. The Dgb is determined to be 2.8 × 10-10 cm2 s-1 assuming a crystallographic GB width (δcrystal) of 1 nm, and 2.5 × 10-11 cm2 s-1 using a chemically measured δchem of 11.10 nm by atom probe tomography (APT). The origin of the concomitant changes in the cation composition is also investigate. In addition to the host cations, strong Na segregation is detected at all the GBs examined. Despite the low (ppm) level of this impurity, its presence can affect the space charge potential (Φ0). This, in turn, will influence the evolution of GB chemistry.

AgCuSe nanoparticles could contribute to the growth of strongly light-absorbing thin films and solids with fast ion mobility, among other potential properties. Nevertheless, few methods have been developed so far for the synthesis of AgCuSe nanoparticles, and those reported deliver nanostructures with relatively large sizes and broad size and shape distributions. In this work, a colloidal cation exchange method is established for the easy synthesis of AgCuSe NPs with ca. 8 nm diameters and narrow size dispersion. Notably, in this lower size range the conucleation and growth of two stoichiometric ternary compounds are generally observed, namely the well-known eucairite AgCuSe compound and the novel fischesserite-like Ag3CuSe2 phase, the latter being less thermodynamically stable as predicted computationally and assessed experimentally. An optimal range of Cu/Ag precursor molar ratio has been identified to ensure the growth of ternary nanoparticles and, more specifically, that of the metastable Ag3CuSe2 nanophase isolated for the first occasion. The attained size range for the material paves the way for utilizing AgCuSe nanoparticles in new ways within the field of biomedicine: the results obtained here confirm the antibacterial activity of the new AgxCuySez nanoparticles against Gram-positive bacteria, with significantly low values of the minimal inhibitory concentration.

Recent advances in machine learning (ML) have highlighted a novel challenge concerning the quality and quantity of data required to effectively train algorithms in supervised ML procedures. This article introduces a data augmentation (DA) strategy for electron energy loss spectroscopy (EELS) data, employing generative adversarial networks (GANs). We present an innovative approach, called the data augmentation generative adversarial network (DAG), which facilitates data generation from a very limited number of spectra, around 100. Throughout this study, we explore the optimal configuration for GANs to produce realistic spectra. Notably, our DAG generates realistic spectra, and the spectra produced by the generator are successfully used in real-world applications to train classifiers based on artificial neural networks (ANNs) and support vector machines (SVMs) that have been successful in classifying experimental EEL spectra.

Machine Learning (ML) strategies applied to Scanning and conventional Transmission Electron Microscopy have become a valuable tool for analyzing the large volumes of data generated by various S/TEM techniques. In this work, we focus on Electron Energy Loss Spectroscopy (EELS) and study two ML techniques for classifying spectra in detail: Support Vector Machines (SVM) and Artificial Neural Networks (ANN). Firstly, we systematically analyze the optimal configurations and architectures for ANN classifiers using random search and the tree-structured Parzen estimator methods. Secondly, a new kernel strategy is introduced for the soft-margin SVMs, the cosine kernel, which offers a significant advantage over the previously studied kernels and other ML classification strategies. This kernel allows us to bypass the normalization of EEL spectra, achieving accurate classification. This result is highly relevant for the EELS community since we also assess the impact of common normalization techniques on our spectra using Uniform Manifold Approximation and Projection (UMAP), revealing a strong bias introduced in the spectra once normalized. In order to evaluate and study both classification strategies, we focus on determining the oxidation state of transition metals through their EEL spectra, examining which feature is more suitable for oxidation state classification: the oxygen K peak or the transition metal white lines. Subsequently, we compare the resistance to energy loss shifts for both classifiers and present a strategy to improve their resistance. The results of this study suggest the use of soft-margin SVMs for simpler EELS classification tasks with a limited number of spectra, as they provide performance comparable to ANNs while requiring lower computational resources and reduced training times. Conversely, ANNs are better suited for handling complex classification problems with extensive training data.

The resistance of an ordered 3D-Bi2Te3 nanowire nanonetwork was studied at low temperatures. Below 50 K the increase in resistance was found to be compatible with the Anderson model for localization, considering that conduction takes place in individual parallel channels across the whole sample. Angle-dependent magnetoresistance measurements showed a distinctive weak antilocalization characteristic with a double feature that we could associate with transport along two perpendicular directions, dictated by the spatial arrangement of the nanowires. The coherence length obtained from the Hikami-Larkin-Nagaoka model was about 700 nm across transversal nanowires, which corresponded to approximately 10 nanowire junctions. Along the individual nanowires, the coherence length was greatly reduced to about 100 nm. The observed localization effects could be the reason for the enhancement of the Seebeck coefficient observed in the 3D-Bi2Te3 nanowire nanonetwork compared to individual nanowires.

Gallium nitride (GaN) nanowires (NWs) have been fabricated by top-down etching from GaN heteroepitaxial films, which provides an accurate control of their position and dimensions. However, these NWs contain, similar to the initial GaN films, high density of structural defects such as threading dislocations (TDs). In this work, different strategies to reduce the density of defects along the NWs have been compared based on two different wet etching approaches followed by a rapid thermal annealing (RTA) at 750 °C. The addition of a 30 nm SiNx coating is also explored. The defects and strain/stress along the NWs have been studied by high resolution transmission electron microscopy, diffraction contrast imaging in two-beam conditions and 4D STEM, as well as strain maps calculated from scanning precession electron diffraction measurements. RTA reduced the density of TDs at the middle of GaN NWs with bare surfaces by approximately 25%. The reduction increased to approximately 70% by RTA of GaN NWs with surfaces coated by amorphous SiNx, which is attributed to enhancement of dislocation movements by stresses induced from differential thermal expansion of GaN and SiNx. These results suggest a process route that, if optimized and combined with reduction of NW diameter, could establish etching as an efficient fabrication method for high crystal quality GaN NWs.

An orthorhombic alpha-Pr2WO6 (PrWO) polymorph with a = 16.57(5) angstrom, b = 5.52(5) angstrom, and c = 8.73(1) angstrom, isostructural to alpha-La2WO6 and alpha-Nd2WO6 , has been stabilized in the form of thin film by pulsed laser deposition on (001)-oriented SrTiO3 substrates. Combining X-ray diffraction pole-figure measurements and transmission electron microscopy (TEM) analysis, the c-axis films gave evidence of the orientations [100]PrWO || [110]STO and [010]PrWO || [110]STO in the plane. Advanced phi-scans and reciprocal space mapping characterizations confirm the existence of the orthorhombic (Pm21n) structure in the film in place to the tetragonal one as also suggested. X-ray thermodiffraction measure-ments highlight the stability of this polymorph in thin film up to 900 degrees C at least. Optical measurements performed by spectroscopic ellipsometry reveal that the band gap in such 36 nm thick films (as confirmed by both X-ray reflectivity and TEM measurements) is 2.5 eV. Besides, the local piezoelectric hysteresis loops recorded by using the spectroscopic tool of piezoresponse force microscopy attest to the robustness of the piezoelectricity and ferroelectricity in these alpha-Pr2WO6 films. This study demonstrates the existence of a new lead-free ferroelectric material in the series of alpha-Ln2WO6 (lanthanide) tungstates, which can be considered as a promising candidate for applications in both nanoelectromechanical and energy-harvesting systems as well as for integrating optics.

Hierarchical density-based spatial clustering of applications with noise (HDBSCAN) and uniform manifold approximation and projection (UMAP), two new state-of-the-art algorithms for clustering analysis, and dimensionality reduction, respectively, are proposed for the segmentation of core-loss electron energy loss spectroscopy (EELS) spectrum images. The performances of UMAP and HDBSCAN are systematically compared to the other clustering analysis approaches used in EELS in the literature using a known synthetic dataset. Better results are found for these new approaches. Furthermore, UMAP and HDBSCAN are showcased in a real experimental dataset from a core–shell nanoparticle of iron and manganese oxides, as well as the triple combination nonnegative matrix factorization–UMAP–HDBSCAN. The results obtained indicate how the complementary use of different combinations may be beneficial in a real-case scenario to attain a complete picture, as different algorithms highlight different aspects of the dataset studied.

In this work, the effect of CuPtB ordering on the optoelectronic properties of Ga0.5In0.5P is studied by combining in situ transmission electron microscopy measurements and density functional theory (DFT) calculations. GaInP layers were grown by metal organic vapor phase epitaxy with a CuPtB single-variant-induced ordering due to the intentional misorientation of the Ge(001) substrate. Moreover, the degree of order was controlled using Sb as the surfactant without changing other growth parameters. The presence of antiphase ordered domain boundaries (APDBs) between the ordered domains is studied as a function of the order parameter. The in situ electrical measurements on a set of samples with controlled degree of order evidence a clear anisotropic electrical conductivity at the nanoscale between the [110] and [1-10] orientations, which is discussed in terms of the presence of APDBs as a function of the degree of order. Additionally, DFT calculations allow to determine the differences in the optoelectronic properties of the compound with and without ordering through the determination of the dielectric function. Finally, the anisotropy of the electrical conductivity for the ordered case is also discussed in terms of the effective mass calculated from the band structure on specific k-paths. By comparing the experimental measurements and the theoretical calculations, two factors have been presented as the main contributors of the electric conductivity anisotropy of CuPtB-type ordered GaInP thin films: antiphase boundaries that separate domains with uniform order (APDBs) and the anisotropy of the effective mass due to the alternating of In/Ga rich planes.

Oxygen mass transport in perovskite oxides is relevant for a variety of energy and information technologies. In oxide thin films, cation nonstoichiometry is often found but its impact on the oxygen transport properties is not well understood. Here, we used oxygen isotope exchange depth profile technique coupled with secondary ion mass spectrometry to study oxygen mass transport and the defect compensation mechanism of Mn-deficient La0.8Sr0.2Mn y O3±δ epitaxial thin films. Oxygen diffusivity and surface exchange coefficients were observed to be consistent with literature measurements and to be independent on the degree of Mn deficiency in the layers. Defect chemistry modeling, together with a collection of different experimental techniques, suggests that the Mn-deficiency is mainly compensated by the formation of LaMn× antisite defects. The results highlight the importance of antisite defects in perovskite thin films for mitigating cationic nonstoichiometry effects on oxygen mass transport properties.

Finding simple, easily controlled, and flexible synthetic routes for the preparation of ternary and hybrid nanostructured semiconductors is always highly desirable, especially to fulfill the requirements for mass production to enable application to many fields such as optoelectronics, thermoelectricity, and catalysis. Moreover, understanding the underlying reaction mechanisms is equally important, offering a starting point for its extrapolation from one system to another. In this work, we developed a new and more straightforward colloidal synthetic way to form hybrid Au-Ag2X (X = S, Se) nanoparticles under mild conditions through the reaction of Au and Ag2X nanostructured precursors in solution. At the solid-solid interface between metallic domains and the binary chalcogenide domains, a small fraction of a ternary AuAg3X2 phase was observed to have grown as a consequence of a solid-state electrochemical reaction, as confirmed by computational studies. Thus, the formation of stable ternary phases drives the selective hetero-attachment of Au and Ag2X nanoparticles in solution, consolidates the interface between their domains, and stabilizes the whole hybrid Au-Ag2X systems.

Understanding the interactions among magnetic nanostructures is one of the key factors to predict and control the advanced functionalities of 3D integrated magnetic nanostructures. In this work, the focus is on different interconnected Ni nanowires forming an intricate, but controlled, and ordered magnetic system: Ni 3D Nanowire Networks (3DNNs). These self-ordered systems present striking anisotropic magnetic responses, depending on the interconnections' position between nanowires. To understand their collective magnetic behavior, the magnetization reversal processes are studied within different Ni 3D Nanowire Networks compared to the 1D nanowire 1DNW array counterparts. The systems are characterized at different angles using first magnetization curves, hysteresis loops, and First Order Reversal Curves techniques, which provided information about the key features that enable macroscopic tuning of the magnetic properties of the 3D nanostructures. In addition, micromagnetic simulations endorse the experiments, providing accurate modeling of their magnetic behavior. The results reveal a plethora of magnetic interactions, neither evident nor intuitive, which are the main role players controlling the collective response of the system. The results pave the way for the design and realization of 3D novel metamaterials and devices based on the nucleation and propagation of ferromagnetic domain walls both in 3D self-ordered systems and future nano-lithographed devices.

The nanoscale magnetic configuration of self-assembled groups of magnetite 40 nm cubic nanoparticles has been investigated by means of electron holography in the transmission electron microscope (TEM). The arrangement of the cubes in the form of chains driven by the alignment of their dipoles of single nanocubes is assessed by the measured in-plane magnetic induction maps, in good agreement with theoretical calculations.

Hard-template nanocasted mesoporous cerium oxide possesses a unique combination of thermal stability, high surface area, and short diffusion lengths for mass and gas transport, which makes it relevant for high-temperature catalysis, sensing, and electrochemical applications. Here, we present an in-depth study of a number of mesoporous doped ceria systems, and we assess their fundamental structure and functionalities by complementary transmission electron microscopy imaging and spectroscopy, electron tomography reconstructions, and electrochemical impedance spectroscopy. We employed surface chemical modifications for increasing the ionic conductivity of as-synthesized mesoporous Gd-doped ceria by 2 orders of magnitude, enabling the ionic pathway across mesoporous particles. Complementary bulk doping strategies (by the addition of Pr) result in the easy tuning of the electrical transport mechanisms converting pure ionic mesoporous ceria into a mixed ionic-electronic conductor. The results obtained here are rationalized in light of local charge accumulation and mobility effects, providing a potential tool for engineering transport properties in nanocasted ceria and similar nanostructured materials for use in energy applications in the form of functional composites, infiltrated structures, or catalytic layers.