Observation of Antiferroelectric Domain Walls in a Uniaxial Hyperferroelectric.

Ferroelectric domain walls are a rich source of emergent electronic properties and unusual polar order. Recent studies show that the configuration of ferroelectric walls can go well beyond the conventional Ising-type structure. Néel-, Bloch-, and vortex-like polar patterns have been observed, displaying strong similarities with the spin textures at magnetic domain walls.

Hidden Impurities Generate False Positives in Single Atom Catalyst Imaging.

Single-atom catalysts (SACs) are an emerging class of materials, leveraging maximum atom utilization and distinctive structural and electronic properties to bridge heterogeneous and homogeneous catalysis. Direct imaging methods, such as aberration-corrected high-angle annular dark-field scanning transmission electron microscopy, are commonly applied to confirm the atomic dispersion of active sites. However, interpretations of data from these techniques can be challenging due to simultaneous contributions to intensity from impurities introduced during synthesis processes, as well as any variation in position relative to the focal plane of the electron beam.

Machine Learning Data Augmentation Strategy for Electron Energy Loss Spectroscopy: Generative Adversarial Networks.

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.

Far-field, near-field and photothermal response of plasmonic twinned magnesium nanostructures.

Magnesium nanoparticles offer an alternative plasmonic platform capable of resonances across the ultraviolet, visible and near-infrared. Crystalline magnesium nanoparticles display twinning on the (101̄1), (101̄2), (101̄3), and (112̄1) planes leading to concave folded shapes named tents, chairs, tacos, and kites, respectively. We use the Wulff-based Crystal Creator tool to expand the range of Mg crystal shapes with twinning over the known Mg twin planes, , (101̄), = 1, 2, 3 and (112̄), = 1, 2, 3, 4, and study the effects of relative facet expression on the resulting shapes.

High-spatial resolution functional chemistry of nitrogen compounds in the observed UK meteorite fall Winchcombe.

Organic matter in extraterrestrial samples is a complex material that might have played an important role in the delivery of prebiotic molecules to the early Earth. We report here on the identification of nitrogen-containing compounds such as amino acids and N-heterocycles within the recent observed meteorite fall Winchcombe by high-spatial resolution spectroscopy techniques. Although nitrogen contents of Winchcombe organic matter are low (N/C ~ 1-3%), we were able to detect the presence of these compounds using a low-noise direct electron detector.

Atomic-Scale Time-Resolved Imaging of Krypton Dimers, Chains and Transition to a One-Dimensional Gas.

Single-atom dynamics of noble-gas elements have been investigated using time-resolved transmission electron microscopy (TEM), with direct observation providing for a deeper understanding of chemical bonding, reactivity, and states of matter at the nanoscale. We report on a nanoscale system consisting of endohedral fullerenes encapsulated within single-walled carbon nanotubes ((Kr@C)@SWCNT), capable of the delivery and release of krypton atoms on-demand, via coalescence of host fullerene cages under the action of the electron beam () or heat (). The state and dynamics of Kr atoms were investigated by energy dispersive X-ray spectroscopy (EDS), electron energy loss spectroscopy (EELS), and X-ray photoelectron spectroscopy (XPS).

Bimetallic copper palladium nanorods: plasmonic properties and palladium content effects.

Cu is an inexpensive alternative plasmonic metal with optical behaviour comparable to Au but with much poorer environmental stability. Alloying with a more stable metal can improve stability and add functionality, with potential effects on the plasmonic properties. Here we investigate the plasmonic behaviour of Cu nanorods and Cu-CuPd nanorods containing up to 46 mass percent Pd.

Direct measurement of single-molecule dynamics and reaction kinetics in confinement using time-resolved transmission electron microscopy.

We report experimental methodologies utilising transmission electron microscopy (TEM) as an imaging tool for reaction kinetics at the single molecule level, in direct space and with spatiotemporal continuity. Using reactions of perchlorocoronene (PCC) in nanotubes of different diameters and at different temperatures, we found a period of molecular movement to precede the intermolecular addition of PCC, with a stronger dependence of the reaction rate on the nanotube diameter, controlling the local environments around molecules, than on the reaction temperature (-175, 23 or 400 °C). Once initiated, polymerisation of PCC follows zero-order reaction kinetics with the observed reaction cross section of 1.

High Power Factor Nb-Doped TiO Thermoelectric Thick Films: Toward Atomic Scale Defect Engineering of Crystallographic Shear Structures.

Donor-doped TiO-based materials are promising thermoelectrics (TEs) due to their low cost and high stability at elevated temperatures. Herein, high-performance Nb-doped TiO thick films are fabricated by facile and scalable screen-printing techniques. Enhanced TE performance has been achieved by forming high-density crystallographic shear (CS) structures.

Tuning the 1T'/2H phases in WMoSe nanosheets.

Controlling materials' morphology, crystal phase and chemical composition at the atomic scale has become central in materials research. Wet chemistry approaches have great potential in directing the material crystallisation process to achieve tuneable chemical compositions as well as to target specific crystal phases. Herein, we report the compositional and crystal phase tuneability achieved in the quasi-binary WMoSe system with chemical and crystal phase mixing down to the atomic level.

Effects of Multiple Local Environments on Electron Energy Loss Spectra of Epitaxial Perovskite Interfaces.

The role of local chemical environments in the electron energy loss spectra of complex multiferroic oxides was studied using computational and experimental techniques. The evolution of the O K-edge across an interface between bismuth ferrite (BFO) and lanthanum strontium manganate (LSMO) was considered through spectral averaging over crystallographically equivalent positions to capture the periodicity of the local O environments. Computational techniques were used to investigate the contribution of individual atomic environments to the overall spectrum, and the role of doping and strain was considered.

Elucidation of Metal Local Environments in Single-Atom Catalysts Based on Carbon Nitrides.

The ability to tailor the properties of metal centers in single-atom heterogeneous catalysts depends on the availability of advanced approaches for characterization of their structure. Except for specific host materials with well-defined metal adsorption sites, determining the local atomic environment remains a crucial challenge, often relying heavily on simulations. This article reports an advanced analysis of platinum atoms stabilized on poly(triazine imide), a nanocrystalline form of carbon nitride.

Automated Image Analysis for Single-Atom Detection in Catalytic Materials by Transmission Electron Microscopy.

Single-atom catalytic sites may have existed in all supported transition metal catalysts since their first application. Yet, interest in the design of single-atom heterogeneous catalysts (SACs) only really grew when advances in transmission electron microscopy (TEM) permitted direct confirmation of metal site isolation. While atomic-resolution imaging remains a central characterization tool, poor statistical significance, reproducibility, and interoperability limit its scope for deriving robust characteristics about these frontier catalytic materials.

Electrostatically Driven Polarization Flop and Strain-Induced Curvature in Free-Standing Ferroelectric Superlattices.

The combination of strain and electrostatic engineering in epitaxial heterostructures of ferroelectric oxides offers many possibilities for inducing new phases, complex polar topologies, and enhanced electrical properties. However, the dominant effect of substrate clamping can also limit the electromechanical response and often leaves electrostatics to play a secondary role. Releasing the mechanical constraint imposed by the substrate can not only dramatically alter the balance between elastic and electrostatic forces, enabling them to compete on par with each other, but also activates new mechanical degrees of freedom, such as the macroscopic curvature of the heterostructure.

Controlling the Thermoelectric Properties of Nb-Doped TiO Ceramics through Engineering Defect Structures.

Donor-doped TiO ceramics are promising high-temperature oxide thermoelectrics. Highly dense (1 - )TiO-NbO (0.005 ≤ ≤ 0.

Unraveling electronic band structure of narrow-bandgap p-n nanojunctions in heterostructured nanowires.

The electronic band structure of complex nanostructured semiconductors has a considerable effect on the final electronic and optical properties of the material and, ultimately, on the functionality of the devices incorporating them. Valence electron energy-loss spectroscopy (VEELS) in the transmission electron microscope (TEM) provides the possibility of measuring this property of semiconductors with high spatial resolution. However, it still represents a challenge for narrow-bandgap semiconductors, since an electron beam with low energy spread is required.

ZnO nucleation into trititanate nanotubes by ALD equipment techniques, a new way to functionalize layered metal oxides.

In this contribution, we explore the potential of atomic layer deposition (ALD) techniques for developing new semiconductor metal oxide composites. Specifically, we investigate the functionalization of multi-wall trititanate nanotubes, HTiO NTs (sample T1) with zinc oxide employing two different ALD approaches: vapor phase metalation (VPM) using diethylzinc (Zn(CH), DEZ) as a unique ALD precursor, and multiple pulsed vapor phase infiltration (MPI) using DEZ and water as precursors. We obtained two different types of tubular HTiO species containing ZnO in their structures.

A primordial N-depleted organic component detected within the carbonaceous chondrite Maribo.

We report on the detection of primordial organic matter within the carbonaceous chondrite Maribo that is distinct from the majority of organics found in extraterrestrial samples. We have applied high-spatial resolution techniques to obtain C-N isotopic compositions, chemical, and structural information of this material. The organic matter is depleted in N relative to the terrestrial value at around δN ~ -200‰, close to compositions in the local interstellar medium.

Heterotwin ZnP superlattice nanowires: the role of indium insertion in the superlattice formation mechanism and their optical properties.

Zinc phosphide (Zn3P2) nanowires constitute prospective building blocks for next generation solar cells due to the combination of suitable optoelectronic properties and an abundance of the constituting elements in the Earth's crust. The generation of periodic superstructures along the nanowire axis could provide an additional mechanism to tune their functional properties. Here we present the vapour-liquid-solid growth of zinc phosphide superlattices driven by periodic heterotwins.

Bond Dissociation and Reactivity of HF and HO in a Nano Test Tube.

Molecular motion and bond dissociation are two of the most fundamental phenomena underpinning the properties of molecular materials. We entrapped HF and HO molecules within the fullerene C cage, encapsulated within a single-walled carbon nanotube (X@C)@SWNT, where X = HF or HO. (X@C)@SWNT represents a class of molecular nanomaterial composed of a guest within a molecular host within a nanoscale host, enabling investigations of the interactions of isolated single di- or triatomic molecules with the electron beam.

3D Ordering at the Liquid-Solid Polar Interface of Nanowires.

The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic thermodynamics, neglecting the atomistic nature of the liquid-solid interface. Here, experimental observations and molecular dynamics simulations are employed to identify the 3D nature of an atomic-scale ordering of liquid Ga in contact with solid GaAs in a nanowire growth configuration.

Evidence for Self-healing Benign Grain Boundaries and a Highly Defective SbSe-CdS Interfacial Layer in SbSe Thin-Film Photovoltaics.

The crystal structure of SbSe gives rise to unique properties that cannot otherwise be achieved with conventional thin-film photovoltaic materials, such as CdTe or Cu(In,Ga)Se. It has previously been proposed that grain boundaries can be made benign provided only the weak van der Waals forces between the (SbSe) ribbons are disrupted. Here, it is shown that non-radiative recombination is suppressed even for grain boundaries cutting across the (SbSe) ribbons.

Tents, Chairs, Tacos, Kites, and Rods: Shapes and Plasmonic Properties of Singly Twinned Magnesium Nanoparticles.

Nanostructures of some metals can sustain light-driven electron oscillations called localized surface plasmon resonances, or LSPRs, that give rise to absorption, scattering, and local electric field enhancement. Their resonant frequency is dictated by the nanoparticle (NP) shape and size, fueling much research geared toward discovery and control of new structures. LSPR properties also depend on composition; traditional, rare, and expensive noble metals (Ag, Au) are increasingly eclipsed by earth-abundant alternatives, with Mg being an exciting candidate capable of sustaining resonances across the ultraviolet, visible, and near-infrared spectral ranges.