Nanoscale Structures Research Articles

Bio-Inspired Micro- and Nano-Scale Surface Features Produced by Femtosecond Laser-Texturing Enhance TiZr-Implant Osseointegration.

Surface design plays a critical role in determining the integration of dental implants with bone tissue. Femtosecond laser-texturing has emerged as a breakthrough technology offering excellent uniformity and reproducibility in implant surface features. However, when compared to state-of-the-art sandblasted and acid-etched surfaces, laser-textured surface designs typically underperform in terms of osseointegration. This study investigates the capacity of a bio-inspired femtosecond laser-textured surface design to enhance osseointegration compared to state-of-the-art sandblasted & acid-etched surfaces. Laser-texturing facilitates the production of an organized trabeculae-like microarchitecture with superimposed nano-scale laser-induced periodic surface structures on both 2D and 3D samples of titanium-zirconium-alloy. Following a boiling treatment to modify the surface chemistry, improving wettability to a contact angle of 10°, laser-textured surfaces enhance fibrin network formation when in contact with human whole blood, comparable to state-of-the-art surfaces. In vitro experiments demonstrate that laser-textured surfaces significantly outperform state-of-the-art surfaces with a 2.5-fold higher level of mineralization by bone progenitor cells after 28 days of culture. Furthermore, in vivo evaluations reveal superior biomechanical integration of laser-textured surfaces after 28 days of implantation. Notably, during abiological pull-out tests, laser-textured surfaces exhibit comparable performance, suggesting that the observed enhanced osseointegration is primarily driven by the biological response to the surface.

The Applications of Artificial Intelligence (AI)-Driven Tools in Virus-Like Particles (VLPs) Research.

Viral-like particles (VLPs) represent versatile nanoscale structures mimicking the morphology and antigenic characteristics of viruses, devoid of genetic material, making them promising candidates for various biomedical applications. The integration of artificial intelligence (AI) into VLP research has catalyzed significant advancements in understanding, production, and therapeutic applications of these nanostructures. This comprehensive review explores the collaborative utilization of AI tools, computational methodologies, and state-of-the-art technologies within the VLP domain. AI's involvement in bioinformatics facilitates sequencing and structure prediction, unraveling genetic intricacies and three-dimensional configurations of VLPs. Furthermore, AI-enabled drug discovery enables virtual screening, demonstrating promise in identifying compounds to inhibit VLP activity. In VLP production, AI optimizes processes by providing strategies for culture conditions, nutrient concentrations, and growth kinetics. AI's utilization in image analysis and electron microscopy expedites VLP recognition and quantification. Moreover, network analysis of protein-protein interactions through AI tools offers an understanding of VLP interactions. The integration of multi-omics data via AI analytics provides a comprehensive view of VLP behavior. Predictive modeling utilizing machine learning algorithms aids in forecasting VLP stability, guiding optimization efforts. Literature mining facilitated by text mining algorithms assists in summarizing information from the VLP knowledge corpus. Additionally, AI's role in laboratory automation enhances experimental efficiency. Addressing data security concerns, AI ensures the protection of sensitive information in the digital era of VLP research. This review serves as a roadmap, providing insights into AI's current and future applications in VLP research, thereby guiding innovative directions in medicine and beyond.

Time-Resolved X-ray Emission Spectroscopy and Resonant Inelastic X-ray Scattering Spectroscopy of Laser Irradiated Carbon.

The existence of liquid carbon as an intermediate phase preceding the formation of novel carbon materials has been a point of contention for several decades. Experimental observation of such a liquid state requires nonthermal melting of solid carbon materials at various laser fluences and pulse properties. Reflectivity experiments performed in the mid-1980s reached opposing conclusions regarding the metallic or insulating properties of the purported liquid state. Time-resolved X-ray absorption studies showed shortening of C-C bonds and increasing diffraction densities, thought to evidence a liquid or glassy carbon state, respectively. Nevertheless, none of these experiments provided information on the electronic structure of the proposed liquid state. Herein, we report the results of time-resolved resonant inelastic X-ray scattering (RIXS) and time-resolved X-ray emission spectroscopy (XES) studies on amorphous carbon (a-C) and ultrananocrystalline diamond (UNCD) as a function of delay time between the irradiating pulse and X-ray probe. For both a-C and UNCD, we attribute decreases in RIXS or XES signals to transition blocking, relaxation, and finally, ablation. Increased signal at 20 ps following the irradiation of the UNCD is attributed to the probable formation of nanoscale structures in the ablation plume. Differences in the amount of signal observed between a-C and UNCD are explained by the difference in sample thickness and, specifically, incomplete melting of the UNCD film. Comparisons to spectral simulations based on MD trajectories at extreme conditions indicate that the carbon state in our experiments is crystalline. Normal mode analysis confirmed that symmetrical bending or stretching of the C-C bonds in the diamond lattice results in XES spectra with small intensity differences. Overall, we observed no evidence of melting to a liquid state, as determined by the lack of changes in the spectral properties for up to 100 ps delays following the melting pulses.

Antibody-ligand interactions on a high-capacity staphylococcal protein A resin

Staphylococcal protein-A affinity chromatography has been optimized for antibody purification, achieving a current capacity of up to 90 mg/ml in packed bed. The morphology of the particles, the number of antibodies bound per ligand and the spatial arrangement of the ligands were assessed by in-situ Small-angle X-ray scattering (SAXS) and scanning electron microscopy (SEM) combined with measurement of adsorption isotherms. We employed SAXS measurements to probe the nanoscale structure of the chromatographic resin. From scanning electron microcopy, the morphology and area of the beads were obtained.The adsorption isotherm revealed a bi-Langmuirian behavior where the association constant varied with the critical bulk concentration, indicating multilayer adsorption. Determining the antibody-ligand stoichiometry was crucial for understanding the adsorption mechanism, which was estimated to be 4 at lower concentrations and 4.5 at higher concentrations, suggestive of reversible protein-protein interactions. The same results were reached from the in-situ small angle X-ray scattering measurements. A stoichiometry of 6 cannot be achieved since the two protein A monomers are anchored to the stationary phase and thus sterically hindered.Normalization through ellipsoids facilitated SAXS analysis, enabling the determination of distances between ligands and antibody-ligand complexes. Density fluctuations were examined by subtracting the elliptical fit, providing insights into ligand density distribution. The dense ligand packing of TOYOPEARL® AF-rProtein A HC was confirmed, making further increases in ligand density impractical. Additionally, SAXS analysis revealed structural rearrangements of the antibody-ligand complex with increasing antibody surface load, suggesting reversible association of antibodies.

Feasibility study of fabricating 20 nm resolution dielectric Fresnel zone plates with ultrahigh aspect ratio for EUV optics

EUV light optics are either reflective or diffractive due to the substantial absorption characteristics by almost all materials. Despite great successes in manufacturing integrated circuit chips, reflective EUV optics are still unfriendly to small-to-medium enterprise (SME) because of the enormous costs. Recently, diffractive EUV optics has come to the light in hopes to be able to establish manufacturing nanoscale products and inspecting nanoscale structures. Diffractive zone plates with high resolution in EUV wavelengths are urgently needed. This paper reports our latest success in developing 20 nm resolution zone plates for focusing and imaging in the EUV and soft X-ray regions. It firstly discusses the diffraction efficiency of FZPs tailored for 13.5 nm wavelength to decide the essential height of the zone plate. Then, Monte Carlo simulation method was used to figure out the achievable zone plate parameters by high-resolution electron beam lithography (EBL). Finally, this work systematically explored the viability of nanofabricating top-tier 20 nm resolution hydrogen silsesquioxane (HSQ) zone plates with the duty cycle ratio nearing 1:1 and the aspect ratio approaching 13:1 on 50 nm thick Si3N4 membranes.

Quantitative selection of sample structures in small-angle scattering using Bayesian methods.

Small-angle scattering (SAS) is a key experimental technique for analyzing nanoscale structures in various materials. In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it generates a hypothesis of the structure of the experimental sample. Traditional model selection methods either rely on qualitative approaches or are prone to overfitting. This paper introduces an analytical method that applies Bayesian model selection to SAS measurement data, enabling a quantitative evaluation of the validity of mathematical models. The performance of the method is assessed through numerical experiments using artificial data for multicomponent spherical materials, demonstrating that this proposed analysis approach yields highly accurate and interpretable results. The ability of the method to analyze a range of mixing ratios and particle size ratios for mixed components is also discussed, along with its precision in model evaluation by the degree of fitting. The proposed method effectively facilitates quantitative analysis of nanoscale sample structures in SAS, which has traditionally been challenging, and is expected to contribute significantly to advancements in a wide range of fields.

Perfect Zeeman Anisotropy in Rotationally Symmetric Quantum Dots with Strong Spin-Orbit Interaction.

In nanoscale structures with rotational symmetry, such as quantum rings, the orbital motion of electrons combined with a spin-orbit interaction can produce a very strong and anisotropic Zeeman effect. Since symmetry is sensitive to electric fields, ring-like geometries provide an opportunity to manipulate magnetic properties over an exceptionally wide range. In this work, we show that it is possible to form rotationally symmetric confinement potentials inside a semiconductor quantum dot, resulting in electron orbitals with large orbital angular momentum and strong spin-orbit interactions. We find complete suppression of Zeeman spin splitting for magnetic fields applied in the quantum dot plane, similar to the expected behavior of an ideal quantum ring. Spin splitting reappears as orbital interactions are activated with symmetry-breaking electric fields. For two valence electrons, representing a common basis for spin-qubits, we find that modulating the rotational symmetry may offer new prospects for realizing tunable protection and interaction of spin-orbital states.

Atomic-scale investigation of Mo distribution and its effect on phase stability of a nanocrystalline CrCoNi-based medium-entropy alloy

“Suzuki segregation” of Mo to planar defects was proposed to contribute to secondary hardening after post-deformation annealing in the MP35N alloy, a CrCoNi-based single-phase superalloy. However, a direct proof of this proposal is challenging and reported observations are controversial. Here, we prepared nanocrystalline MP35N thin films by co-deposition on a microtip array of pre-sharpened Si tips. This enabled a direct investigation of the Mo distribution in a nanoscale structure with many grain boundaries (GBs) after annealing by atom probe tomography. We observed that no Mo but Cr segregates to GBs between 360 and 460 °C. Additionally, we found that MP35N is thermally more stable than a (Mo-free) Cr-Co-Ni medium-entropy alloy under the same conditions. Factors that influence the kinetics of phase decomposition and thermal stability, including grain size, Mo addition, and the loss of Cr due to oxidation at GBs were addressed.

Site-selective core/shell deposition of tin on multi-segment nanowires for magnetic assembly and soldered interconnection

The field of nanotechnology continues to grow with the ongoing discovery and characterization of novel nanomaterials with unconventional size-dependent properties; however, the ability to apply modern manufacturing strategies for practical device design of these nanoscale structures is significantly limited by their small size. Although interconnection has been previously demonstrated between nanoscale components, such approaches often require the use of expensive oxidation-resistant noble metal materials and time-consuming or untargeted strategies for welded interconnection such as laser ablation or plasmonic resonance across randomly oriented component networks. In this work, a three-segment gold–nickel–gold nanowire structure is synthesized using templated electrodeposition and modified via monolayer-directed aqueous chemical reduction of tin solder selectively on the gold segments. This core/shell nanowire structure is capable of directed magnetic assembly tip-to-tip and along substrate pads in network orientation. Upon infrared heating in a flux vapor atmosphere, the solder payload melts and establishes robust and highly conductive wire–wire joints. The targeted solder deposition strategy has been applied to various other multi-segment gold/nickel nanowire configurations and other metallic systems to demonstrate the capability of the approach. This core/shell technique of pre-loading magnetically active nanowires with solder material simplifies the associated challenges of size-dependent component orientation in the manufacture of nanoscale electronic devices.

Atomistic study of intermetallics of Fe–Al–Zn system and their interfacial properties

Galvanizing is an important industrial process to improve the corrosion resistance of advanced high strength steels (AHSSs) that are vital for automotive industries. During galvanizing, nanoscale intermetallic phases with complex crystal structures are formed at the interface between the steel substrate and the zinc overlay. To better understand the nanoscale structures and the interfacial properties between the intermetallics, in this work, we develop a second nearest neighbor (2NN) Fe–Al–Zn ternary Modified Embedded Atom Method (MEAM) potential to describe the crystal structures of the intermetallics, i.e. Fe3Al8, Fe4Zn9 and FeZn13 and to calculate the interfacial structure and energy between them. The developed MEAM potential describes well the complex crystal structures and can be used to investigate the interfacial properties that are difficult to obtain from experiments. The Fe4Zn9, FeZn13 surface energies; the Fe–Fe4Zn9, Fe–FeZn13, Fe3Al8–FeZn13 interfacial energies; and the work of adhesion are calculated with the developed MEAM potential. The results show that FeZn13 crystal orientation has an insignificant effect on the FeZn13 surface energy and the Fe–FeZn13 interfacial energy. A negative interfacial energy is obtained for the Fe–Fe4Zn9 and the Fe–FeZn13 interface. The lowest interfacial energy is obtained in the {100}Fe case. The interfacial energy of Fe3Al8–FeZn13 depends on the surface termination of Fe3Al8 and FeZn13. A low interfacial energy is obtained when the surface termination of Fe3Al8 and FeZn13 are both Fe rich. In contrast, when the surface termination of Fe3Al8 is Al rich or the surface termination of FeZn13 is Zn rich, no low energy, stable interface can be formed between the two phases.

Cell-Impermeable Buffering Fluorogenic Probes for Live-Cell Super-Resolution Imaging of Plasma Membrane Morphology Dynamics.

Super-resolution fluorescence imaging has emerged as a potent tool for investigating the nanoscale structure and function of the plasma membrane (PM). Nevertheless, the challenge persists in achieving super-resolution imaging of PM dynamics due to limitations in probe photostability and issues with cell internalization staining. Herein, we report assembly-mediated buffering fluorogenic probes BMP-14 and BMP-16 exhibiting fast PM labeling and extended retention time (over 2 h) on PM. The incorporation of alkyl chains proves effective in promoting the aggregation of BMP-14 and BMP-16 into nonfluorescent nanoparticles to realize fluorogenicity and regulate the buffering capacity to rapidly replace photobleached probes ensuring stable long-term super-resolution imaging of PM. Utilizing these PM-buffering probes, we observed dynamic movements of PM filopodia and continuous shrinkage, leading to the formation of extracellular vesicles (EVs) using structured illumination microscopy (SIM). Furthermore, we discovered two distinct modes of EV fusion: one involving fusion through adjacent lipids and the other through filamentous lipid traction. The entire process of EV fusion outside the PM was dynamically tracked. Additionally, BMP-16 exhibited a unique capability of inducing single-molecule fluorescence blinking when used for cell membrane staining. This property makes BMP-16 suitable for the PAINT imaging of cell membranes.

Hyper-Cross-Linked Resin Modified by a Micropore Polymer for Gas Adsorption and Separation.

Polymerization confined to the pore was first adapted for the nanoscale structure adjustment of adsorption resin. The self-cross-linked polymer (P-1) formed in the pore of hyper-cross-linked resin (HR) by the Friedel-Crafts reaction of p-dichloroxylene (p-DCX), occupying the macropore of the HR resin and bringing about an external micropore. Compared with the raw HR resin, the volume of the micropore of HR@P-1 in 0.4 < D < 1 nm increased but the volume of the macropore has obviously decreased. After the loading of P-1 in the nanopore of HR, HR@P-1 has better gas adsorption performance. At 298 and 100 KPa, the adsorption capacity of CO2 is almost 30% higher than that of HR, reaching 35.7 cm3/g, due to the increase in the smaller micropore volume. Moreover, HR@P-1 has also been found to be the first C2H6-selective adsorption resin. The uptake of C2H6 is up to 56 cm3/g, and the IAST selectivity of C2H6/CH4 reaches 15.3. HR@P-1 can also separate syngas efficiently at ambient temperature and be regenerated by simple vacuum operation.

Nanofabrication and Sensing Technology: from the Interface‐Mediated Mechanism Point‐of‐View

AbstractIn recent years, the field of sensing technology has experienced notable advancements, where sensing devices have emerged as pivotal tools in enhancing operational efficiency, cutting costs, and bolstering security across diverse sectors. In this context, the preparation of nanoscale materials and structures, including colloidal particle synthesis and lithographic structure fabrication will be discussed. The significance of managing the interface environment in sensor designs, with nanofabrication advancements enabling the development of innovative sensing devices, is highlighted. Control over the interface environment is argued not only dictates the capability of sensor designs but also opens avenues for next‐generation sensor fabrication and integration. By focusing on the interface‐mediated mechanism, this approach offers a comprehensive roadmap of this research area, its challenges and potential solutions, and prospective opportunities.

Characterization and fractal characteristics of nano-scale pore structure in shale gas reservoirs: a case study of the deep Longmaxi Formation, Zigong region, Southern Sichuan Basin, China

Taking the Longmaxi deep-marine shale gas reservoir in Zigong region as the research target, this paper aimed to characterize the nano-scale pore structure and investigate the reservoirs’ heterogeneity based on fractal theory. By conducting a series of experimental studies, mainly including TOC, XRD, gas adsorption (N2 and CH4), we were able to clarify the main controlling factors for the heterogeneity of deep shale pore structure. Our results indicated that the deep marine shale possessed a significant amount of organic matter, as the average TOC value is 3.68%. The XRD analysis results show that quartz and clay were the main mineral types, and the total content of these two minerals averaged 77.5%. Positive correlations were observed between TOC and quartz, while TOC decreases as the clay mineral increases, this discovery indicating that quartz is biogenic. Based on FHH (Frenkele-Halseye-Hill) method, by using the LTNA adsorption isotherms, we took relative pressure P/P0=0.5 as the boundary, then two separate fractal dimension were deduced, D1 and D2 represent the fractal characteristics of small and large pores, respectively. Our study revealed that both D1 and D2 demonstrated positive correlations with N2 adsorption pore volume and adsorption specific surface area, while negatively correlated with the adsorption average pore diameter. Moreover, the two fractal dimensions showed positive associations with TOC and quartz and negative associations with clay. Additionally, D1 and D2 also demonstrated a positive correlation with Langmuir volume. The presence of micropores was found to significantly influence the formation of an irregular pore structure in shale. As the pore size decreased, the adsorption specific surface area increased, resulting in a more intricate pore structure, and the fractal dimension of the pores elevated, ultimately. This intricate structure is beneficial for the accumulation of shale gas. These research findings offer valuable insights for the comprehensive assessment of deep shale gas, and enrich our knowledge of enrichment mechanisms in deep shale gas reservoirs.

Investigation of accelerated moving load on dynamic response of FG Timoshenko nanobeam in thermal environment based on nonlocal strain gradient theory

For the first time, this paper investigates the forced vibrations of a functionally graded (FG) nanobeam with an accelerating moving load in a thermal environment. There is no exact coupling solution for the vibrations of nanobeam with an accelerated moving load, so this paper aims to provide a method to obtain an accurate solution for nanoscale structures with an accelerated moving load. The equations of motion are derived using Timoshenko's beam theory and the nonlocal strain gradient theory (NSGT). The Laplace method has been used to solve the coupling and exact differential equations. Then, by inverting Laplace from the coupled equations, an exact solution of the temporal response for FG nanobeam with constant acceleration and initial velocity in a thermal environment was obtained. The natural frequency was compared with previous works for validity and had acceptable results. Finally, the effect of parameters such as changes in acceleration and velocity of moving force, negative acceleration, power law index of FG material, different temperatures, nonlocal parameter, and longitudinal scale parameter on the maximum dynamic displacement of nanobeam is investigated. These results can be used better to design FG nanostructures with accelerated moving loads. Considering the sensitivity of data analysis in nano dimensions, it is necessary to provide an analytical solution method in these dimensions to reduce the error percentage in nano dimensions to zero. which is presented in this work for the first time.

Chemical transformations during mechanoactivation of ε‐polylysine‐poly‐L‐lactic acid mixture to obtain amphiphilic copolymers

AbstractIn this study presents a new strategy for the preparation of amphiphilic copolymers of ε‐polylysine (PL) and poly‐L‐lactic acid (PLA) using one‐step pulsed mechanochemical approach. Correlation between the synthesis parameters (ratio of homopolymers) and the structure of the resulting copolymers has been studied. The interaction products were characterized by nuclear magnetic resonance, Infrared spectroscopy, size‐exclusion chromatography, by varying the mass ratio of the initial homopolymers (PL:PLA = 10:90; 50:50; 90:10). It is shown that the largest number of product yield is formed in a ratio of homopolymers of 50:50, according to the reaction of aminolysis of polyesters. The dynamic light scattering method, transmission electron microscopy, and small‐angle x‐ray scattering were used to characterize nanoscale structures of copolymer macromolecules in aqueous solvent. As a result of pulsed mechanochemical action at all three ratios of homopolymers (PL:PLA = 10:90; 50:50; 90:10 w/w), the aminolysis reaction of the ester group occurs and branched macromolecules of copolymers are formed, which consist of chemically related sequences of homopolymers—main chain—PL, side branches—PLA. However, the maximum yield of the amphiphilic copolymer was 90 wt% with a PL:PLA ratio of 50:50. This study can serve as the development of important areas: deepen knowledge in the field of mechanochemical synthesis of amphiphilic copolymers.

Formamide denaturation of double-stranded DNA for fluorescence in situ hybridization (FISH) distorts nanoscale chromatin structure.

As imaging techniques rapidly evolve to probe nanoscale genome organization at higher resolution, it is critical to consider how the reagents and procedures involved in sample preparation affect chromatin at the relevant length scales. Here, we investigate the effects of fluorescent labeling of DNA sequences within chromatin using the gold standard technique of three-dimensional fluorescence in situ hybridization (3D FISH). The chemical reagents involved in the 3D FISH protocol, specifically formamide, cause significant alterations to the sub-200 nm (sub-Mbp) chromatin structure. Alternatively, two labeling methods that do not rely on formamide denaturation, resolution after single-strand exonuclease resection (RASER)-FISH and clustered regularly interspaced short palindromic repeats (CRISPR)-Sirius, had minimal impact on the three-dimensional organization of chromatin. We present a polymer physics-based analysis of these protocols with guidelines for their interpretation when assessing chromatin structure using currently available techniques.

Formation of Corrosion‐Resistant Nitride Coatings Based on Ti–Al–Cr–Fe–Ni High‐Entropy Alloy

The purpose of the work is to study the features of the phase and structure formation of coatings (Ti–Al–Cr–Fe–Ni)N formed by vacuum arc deposition and to study the influence of technological parameters of the deposition process on their corrosive properties. It is established that on the basis of the selected elements, it is possible to form a high‐entropy compound in the form of a solid solution. The structure of nitride coatings based on high‐entropy compounds formed by vacuum arc deposition is studied. It is established that the phase composition of coatings largely depends on the ratio of titanium and aluminum, which is determined by the technological parameters of deposition. An analysis of the results of the electrochemical behavior of coatings (Al,Ti,Fe,Cr,Ni)N shows that an increase in the corrosion resistance of these coatings is due to the synergistic effect of the formation of a solid substitution solution with a dense nanoscale structure and an increased relative aluminum content in them.

Synchrotron Near-Field Infrared Nanospectroscopy and Nanoimaging of Lithium Fluoride in Solid Electrolyte Interphases in Li-Ion Battery Anodes.

Lithium fluoride (LiF) is a ubiquitous component in the solid electrolyte interphase (SEI) layer in Li-ion batteries. However, its nanoscale structure, morphology, and topology, important factors for understanding LiF and SEI film functionality, including electrode passivity, are often unknown due to limitations in spatial resolution of common characterization techniques. Ultrabroadband near-field synchrotron infrared nanospectroscopy (SINS) enables such detection and mapping of LiF in SEI layers in the far-infrared region down to ca. 322 cm-1 with a nanoscale spatial resolution of ca. 20 nm. The surface sensitivity of SINS and the large infrared absorption cross section of LiF, which can support local surface phonons under certain circumstances, enabled characterization of model LiF samples of varying structure, thickness, surface roughness, and degree of crystallinity, as confirmed by atomic force microscopy, attenuated total reflectance FTIR, SINS, X-ray photoelectron spectroscopy, high-angle annular dark-field, and scanning transmission electron microscopy. Enabled by this approach, LiF within SEI films formed on Cu, Si, and metallic glass Si40Al50Fe10 electrodes was detected and characterized. The nanoscale morphologies and topologies of LiF in these SEI layers were evaluated to gain insights into LiF nucleation, growth, and the resulting nuances in the electrode surface passivity.

Synthesis and in-depth structure determination of a novel metastable high-pressure CrTe3 phase

This study reports the synthesis and crystal structure determination of a novel CrTe3 phase using various experimental and theoretical methods. The average stoichiometry and local phase separation of this quenched high-pressure phase were characterized by ex situ synchrotron powder X-ray diffraction and total scattering. Several structural models were obtained using simulated annealing, but all suffered from an imperfect Rietveld refinement, especially at higher diffraction angles. Finally, a novel stoichiometrically correct crystal structure model was proposed on the basis of electron diffraction data and refined against powder diffraction data using the Rietveld method. Scanning electron microscopy–energy-dispersive X-ray spectrometry (EDX) measurements verified the targeted 1:3 (Cr:Te) average stoichiometry for the starting compound and for the quenched high-pressure phase within experimental errors. Scanning transmission electron microscopy (STEM)–EDX was used to examine minute variations of the Cr-to-Te ratio at the nanoscale. Precession electron diffraction (PED) experiments were applied for the nanoscale structure analysis of the quenched high-pressure phase. The proposed monoclinic model from PED experiments provided an improved fit to the X-ray patterns, especially after introducing atomic anisotropic displacement parameters and partial occupancy of Cr atoms. Atomic resolution STEM and simulations were conducted to identify variations in the Cr-atom site-occupancy factor. No significant variations were observed experimentally for several zone axes. The magnetic properties of the novel CrTe3 phase were investigated through temperature- and field-dependent magnetization measurements. In order to understand these properties, auxiliary theoretical investigations have been performed by first-principles electronic structure calculations and Monte Carlo simulations. The obtained results allow the observed magnetization behavior to be interpreted as the consequence of competition between the applied magnetic field and the Cr–Cr exchange interactions, leading to a decrease of the magnetization towards T = 0 K typical for antiferromagnetic systems, as well as a field-induced enhanced magnetization around the critical temperature due to the high magnetic susceptibility in this region.