S. Conesa Boj
Please Note
44 records found
1
Quantitative electron energy-loss spectroscopy (EELS) critically depends on accurate background subtraction, yet standard approaches rely on deterministic parametric fits and provide no statistically rigorous uncertainty estimates. This limitation is particularly severe in the core-loss regime, where the background must be extrapolated into the ionisation-edge window, hindering reliable and automated analyses. Here, we introduce a physics-informed, uncertainty-aware machine learning framework that reformulates core-loss background subtraction as a statistically controlled inference problem with explicit uncertainty propagation. The method combines Monte Carlo replica generation based on empirically determined covariance matrices with neural network ensembles trained on the pre-edge region, and enforces physically consistent extrapolation via an effective-exponent constraint at the edge onset. This approach yields pixel- and energy-resolved background probability distributions, enabling direct propagation of uncertainty to derived spectroscopic observables. Closure tests on synthetic spectral images demonstrate faithful background reconstruction and well-calibrated uncertainty estimates, including in extrapolation regions. Applied to core-loss EELS spectral images of twisted CrSBr, the framework reveals nanoscale, stacking-correlated modulations of Cr L2,3 white-line intensities that significantly exceed propagated uncertainties. More broadly, this work provides an automation-ready pathway for quantitative, uncertainty-aware core-loss EELS analysis across diverse materials systems.
Controlling the topology of curved transition-metal dichalcogenides remains challenging because shell formation, precursor conversion and hollowing occur simultaneously during growth. Here, we show that the thickness of sputtered tungsten (W) films provides a direct handle for selecting WS2 nanotube topology during charcoal-assisted oxide-template sulfurization. Varying the initial W thickness from 1 to 100 nm drives a transition from laterally extended WS2-like domains to hollow nanotubes and, finally, to retained-core nanotubes exhibiting shell-front mismatch and spiral-like shell wrapping. Sulfur-free controls, Raman spectroscopy, grazing-incidence X-ray diffraction, transmission electron microscopy and elemental mapping reveal that this transition is governed by the continuity, accessibility, and recession of WOx-derived precursor structures. As an initial test of functionality, multiphoton microscopy further shows that the oxide-core nanotube assemblies are optically active nonlinear emitters, generating second-harmonic, sum-frequency and four-wave-mixing signals that are readily detected under conditions where a WS2 monolayer reference is near the detection limit. These results establish film thickness as a synthetic handle for curved transition-metal dichalcogenide architectures and identify these self-formed nanostructures as a promising platform for nonlinear nanophotonics.
Photonics in Flatland
Challenges and opportunities for nanophotonics with 2D semiconductors
Two-dimensional (2D) semiconductors are emerging as a versatile platform for nanophotonics, offering unprecedented tunability in optical properties through exciton resonance engineering, van der Waals heterostructuring, and external field control. These materials enable active optical modulation, single-photon emission, quantum photonics, and valleytronic functionalities, paving the way for next-generation optoelectronic and quantum photonic devices. However, key challenges remain in achieving large-area integration, maintaining excitonic coherence, and optimizing amplitude-phase modulation for efficient light manipulation. Advances in fabrication, strain engineering, and computational modeling will be crucial to overcoming these limitations. This Perspective highlights recent progress in 2D semiconductor-based nanophotonics, emphasizing opportunities for scalable integration into photonics.
Moiré superlattices in 2D van der Waals (vdW) materials enable the engineering of local polarization textures and electrostatic potential landscapes. While polarization vortices are demonstrated in bilayer transition metal dichalcogenides (TMDs), their formation mechanisms in multilayers remain unclear. Here, it is shown that in multi-twisted small-angle multilayer WSe2, nanoscale strain fields, not twist alone, govern the emergence, and stability of polarization vortices. Using 4D scanning transmission electron microscopy (4D-STEM) with an electron microscope pixel array detector (EMPAD), local electrostatic potential variations and strain distributions are spatially resolved with nanometer precision. It is found that vortex-like polarization textures emerge exclusively in regions with significant nanoscale strain, revealing a direct interplay between lattice reconstruction and Moiré-induced polarization textures in twisted multilayers. The findings establish strain as a key tuning parameter for Moiré-induced polarization control, providing new pathways for strain-engineered 2D vdW materials, chiral dipole textures, and next-generation low-power electronic and optoelectronic devices.
Erratum
Editorial Expression of Concern: Ballistic superconductivity in semiconductor nanowires (Nature communications)
Nature Communications is publishing an editorial expression of concern on the article “Ballistic superconductivity in semiconductor nanowires”, by H. Zhang et al. On 09 December 2021, the Editorial Staff was alerted by Vincent Mourik and two other researchers to potential problems in the manner in which raw data have been selected, processed and analysed. In response to these concerns, Nature Communications initiated an investigation by contacting the corresponding authors of the article and consulting with two independent experts. The investigation involved technical scrutiny of the additional analyses provided by the corresponding authors, including supplementary data from the repository https://zenodo.org/records/6851435. Based on the evidence presented, the Reviewers endorsed the publication of the correction note appended below. Readers are urged to take this information into consideration when interpreting the data presented in this article. Kun Zuo and Vincent Mourik also informed the editorial staff that they wished to be removed from authorship because in their opinion, the correction does not address the concerns with respect to the data and they do not endorse the validity of the claims and conclusions of the article. The author list in both the PDF and HTML has now been rectified. All authors,with the exception ofKenjiWatanabe and Takashi Taniguchi, disagreewith the publication of this Editorial Expression of Concern.
Correction to: Nature Communicationshttps://doi.org/10.1038/ncomms16025, published online 06 July 2017 The original version of this Article included the authors Kun Zuo and Vincent Mourik who wish to be removed from authorship. Consequently, the author affiliations for these authors have been removed from the ‘Authors and Affiliations’ section. The original version of the ‘Contributions’ statement, which read “H.Z. and Ö.G. fabricated the devices, performed the measurements and analysed the data. S.C.-B. performed the TEM analysis. M.P.N. and M.W. performed the numerical simulations. K.Z., V.M., F.K.d.V., J.v.V., M.W.A.d.M., J.D.S.B., D.J.v.W., M.Q.-P., M.C.C. and S.G. contributed to the experiments. D.C., S.P. and E.P.A.M.B. grew the InSb nanowires. S.K. prepared the lamellae for the TEM analysis. K.W. and T.T. synthesized the h-BN crystals. L.P.K. supervised the project. All authors contributed to the writing of the manuscript”, has been amended to read “H.Z. and Ö.G. fabricated the devices, performed the measurements and analysed the data. S.C.-B. performed the TEM analysis. M.P.N. and M.W. performed the numerical simulations. F.K.d.V., J.v.V., M.W.A.d.M., J.D.S.B., D.J.v.W., M.Q.-P., M.C.C. and S.G. contributed to the experiments. D.C., S.P. and E.P.A.M.B. grew the InSb nanowires. S.K. prepared the lamellae for the TEM analysis. K.W. and T.T. synthesized the h-BN crystals. L.P.K. supervised the project. All authors contributed to the writing of the manuscript”. This has been corrected in both the PDF and HTML versions of the article.
4D-STEM Nanoscale Strain Analysis in van der Waals Materials
Advancing beyond Planar Configurations
Achieving nanoscale strain fields mapping in intricate van der Waals (vdW) nanostructures, like twisted flakes and nanorods, presents several challenges due to their complex geometry, small size, and sensitivity limitations. Understanding these strain fields is pivotal as they significantly influence the optoelectronic properties of vdW materials, playing a crucial role in a plethora of applications ranging from nanoelectronics to nanophotonics. Here, a novel approach for achieving a nanoscale-resolved mapping of strain fields across entire micron-sized vdW nanostructures using four-dimensional (4D) scanning transmission electron microscopy (STEM) imaging equipped with an electron microscope pixel array detector (EMPAD) is presented. This technique extends the capabilities of STEM-based strain mapping by means of the exit-wave power cepstrum method incorporating automated peak tracking and K-means clustering algorithms. This approach is validated on two representative vdW nanostructures: a two-dimensional (2D) MoS2 thin twisted flakes and a one-dimensional (1D) MoO3/MoS2 nanorod heterostructure. Beyond just vdW materials, the versatile methodology offers broader applicability for strain-field analysis in various low-dimensional nanostructured materials. This advances the understanding of the intricate relationship between nanoscale strain patterns and their consequent optoelectronic properties.
Chromium dioxide (CrO2) nanowires with their half-metallic ferromagnetic properties have shown great promise in spintronics applications. However, growth of such wires remains challenging. We used the Selective Area growth method to fabricate high quality epitaxial CrO2 wires on a TiO2 substrate, using trenches oriented both along the substrate [001] c-axis and along the [010] b-axis, which are the magnetically easy and hard axis of the wire, respectively. We investigated the morphology of the wires by high-resolution transmission electron microscopy (TEM) and measured their physical properties, in particular magnetoresistance (MR) and the Anomalous Hall Effect (AHE). TEM images showed that the morphology of the wires grown along the two axes are very different. MR data show very sharp switching for c-axis grown wires (the easy axis), even for quite large wire widths. The AHE is found to be different for c-axis wires and b-axis wires, which we argue to be due to a different wire morphology on the nanoscale.
Among the many potential applications of topological insulator materials, their broad potential for the development of novel tunable plasmonics at THz and mid-infrared frequencies for quantum computing, terahertz detectors, and spintronic devices is particularly attractive. The required understanding of the intricate relationship between nanoscale crystal structure and the properties of the resulting plasmonic resonances remains, however, elusive for these materials. Specifically, edge- and surface-induced plasmonic resonances, and other collective excitations, are often buried beneath the continuum of electronic transitions, making it difficult to isolate and interpret these signals using techniques such as electron energy-loss spectroscopy (EELS). Here we focus on the experimentally clean energy-gain EELS region to characterise collective excitations in the topologically insulating material Bi2Te3 and correlate them with the underlying crystalline structure with nanoscale resolution. We identify with high significance the presence of a distinct energy-gain peak around −0.8eV, with spatially-resolved maps revealing that its intensity is markedly enhanced at the edge regions of the specimen. Our findings illustrate the reach of energy-gain EELS analyses to accurately map collective excitations in quantum materials, a key asset in the quest towards new tunable plasmonic devices.
Heterostrain-Driven Bandgap Increase in Twisted WS2
A Nanoscale Study
Twisted 2D materials present an enticing platform for exploring diverse electronic properties owning to the tunability of their bandgap energy. However, the intricate relationship between local heterostrain fields, thickness, and bandgap energy remains insufficiently understood, particularly at the nanoscale. Here, it presents a comprehensive nanoscale study elucidating the remarkable sensitivity of the bandgap energy to both thickness and heterostrain fields within twisted WS2 nanostructures. This approach integrates electron energy-loss spectroscopy (EELS) enhanced by machine learning with 4D scanning transmission electron microscopy (STEM). Through this synergistic methodology, enhancements up to 20% in the bandgap energy is unveiled depending on the specimen thickness. This phenomenon is traced back to sizable deformation angles present within individual layers, which can be directly linked to distinct variations in local heterostrain fields. The findings represent a significant advancement in comprehending the electronic behavior of twisted 2D materials and introduce a novel methodological framework with far-reaching implications for twistronics and the investigation of other materials within the nanoscience domain.
This study presents an in-depth investigation of the electronic properties and bandgap energy distribution in 1D molybdenum disulfide (1D-MoS2) nanostructures. Through a combination of high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and electron energy-loss spectroscopy (EELS), it reveals significant differences between 1D-MoS2 nanostructures and their 2D counterparts, shedding light on their localized exciton behavior and their bandgap energy modulation within the nanostructures. Excitonic peaks at around 2 and 3 eV appear localized at the ends or along the sides of the 1D-MoS2 nanostructures, while the plasmonic resonance at 8.3 eV retains its inner-region localization. It demonstrates the spatial dependence of the bandgap energy, with the central region exhibiting a bandgap of approximately 1.2 eV, consistent with bulk MoS2, while regions characterized by curvature-induced local strain fields exhibit instead a noticeable reduction. The findings provide valuable insights into the intricate relationship between excitonic behavior and bandgap sensitivity in 1D-MoS2 nanostructures, streamlining the design and optimization of nanophotonic and optoelectronic devices.
First-Principles Calculation of Optoelectronic Properties in 2D Materials
The Polytypic WS2 Case
The phenomenon of polytypism, namely unconventional crystal phases displaying a mixture of stacking sequences, represents a powerful handle to design and engineer novel physical properties in two-dimensional (2D) materials. In this work, we characterize from first-principles the optoelectronic properties associated with the 2H/3R polytypism occurring in WS2 nanomaterials by means of density functional theory (DFT) calculations. We evaluate the band gap, optical response, and energy-loss function associated with 2H/3R WS2 nanomaterials and compare our predictions with experimental measurements of electron energy-loss spectroscopy (EELS) carried out in nanostructures exhibiting the same polytypism. Our results provide further input to the ongoing efforts toward the integration of polytypic 2D materials into functional devices.
The electronic properties of two-dimensional (2D) materials depend sensitively on the underlying atomic arrangement down to the monolayer level. Here we present a novel strategy for the determination of the band gap and complex dielectric function in 2D materials achieving a spatial resolution down to a few nanometers. This approach is based on machine learning techniques developed in particle physics and makes possible the automated processing and interpretation of spectral images from electron energy loss spectroscopy (EELS). Individual spectra are classified as a function of the thickness with K-means clustering, and then used to train a deep-learning model of the zero-loss peak background. As a proof of concept we assess the band gap and dielectric function of InSe flakes and polytypic WS2 nanoflowers and correlate these electrical properties with the local thickness. Our flexible approach is generalizable to other nanostructured materials and to higher-dimensional spectroscopies and is made available as a new release of the open-source EELSfitter framework.
Two-dimensional Transition Metal Dichalcogenites (2D TMDs) have recently attracted enormous scientific attention for their unique optical properties. 2D TMDs are semiconductors with a direct bandgap in the visible wavelength range. In their valleys, stable excitons are formed even at room-temperature. A valley pseudospin can be attributed to each valley, making it possible to address each valley individually with circularly polarized light.
Due to their intriguing optical properties, including stable and chiral excitons, two-dimensional transition metal dichalcogenides (2D-TMDs) hold the promise of applications in nanophotonics. Chemical vapor deposition (CVD) techniques offer a platform to fabricate and design nanostructures with diverse geometries. However, the more exotic the grown nanogeometry, the less is known about its optical response. WS2nanostructures with geometries ranging from monolayers to hollow pyramids have been created. The hollow pyramids exhibit a strongly reduced photoluminescence with respect to horizontally layered tungsten disulphide, facilitating the study of their clear Raman signal in more detail. Excited resonantly, the hollow pyramids exhibit a great number of higher-order phononic resonances. In contrast to monolayers, the spectral features of the optical response of the pyramids are position dependent. Differences in peak intensity, peak ratio and spectral peak positions reveal local variations in the atomic arrangement of the hollow pyramid crater and sides. The position-dependent optical response of hollow WS2pyramids is characterized and attributed to growth-induced nanogeometry. Thereby the first steps are taken towards producing tunable nanophotonic devices with applications ranging from opto-electronics to non-linear optics.