Advanced Transmission Research Articles

Emergent interface vibrational structure of oxide superlattices

As the length scales of materials decrease, the heterogeneities associated with interfaces become almost as important as the surrounding materials. This has led to extensive studies of emergent electronic and magnetic interface properties in superlattices1–9. However, the interfacial vibrations that affect the phonon-mediated properties, such as thermal conductivity10,11, are measured using macroscopic techniques that lack spatial resolution. Although it is accepted that intrinsic phonons change near boundaries12,13, the physical mechanisms and length scales through which interfacial effects influence materials remain unclear. Here we demonstrate the localized vibrational response of interfaces in strontium titanate–calcium titanate superlattices by combining advanced scanning transmission electron microscopy imaging and spectroscopy, density functional theory calculations and ultrafast optical spectroscopy. Structurally diffuse interfaces that bridge the bounding materials are observed and this local structure creates phonon modes that determine the global response of the superlattice once the spacing of the interfaces approaches the phonon spatial extent. Our results provide direct visualization of the progression of the local atomic structure and interface vibrations as they come to determine the vibrational response of an entire superlattice. Direct observation of such local atomic and vibrational phenomena demonstrates that their spatial extent needs to be quantified to understand macroscopic behaviour. Tailoring interfaces, and knowing their local vibrational response, provides a means of pursuing designer solids with emergent infrared and thermal responses.

Insights into the performance and degradation of Ru@Pt core-shell catalysts for fuel cells by advanced (scanning) transmission electron microscopy.

Ru@Pt core-shell nanoparticles are currently being explored as carbon monoxide tolerant anode catalysts for proton exchange membrane fuel cells. However, little is known about their degradation under fuel cell conditions. In the present work, two types of Ru@Pt nanoparticles with nominal shell thicknesses of 1 (Ru@1Pt) and 2 (Ru@2Pt) Pt monolayers are studied as synthesized and after accelerated stress tests. These stress tests were designed to imitate the degradation occurring under fuel cell operating conditions. Our advanced (scanning) transmission electron microscopy characterization explains the superior initial electrochemical performance of Ru@1Pt. Moreover, the 3D reconstruction of the Pt shell by electron tomography reveals an incomplete shell for both samples, which results in a less stable Ru metal being exposed to an electrolyte. The degree of coverage of the Ru cores provides insights into the higher stability of Ru@2Pt during the accelerated stress tests. Our results explain how to maximize the initial performance of Ru@Pt-type catalysts, without compromising their stability under fuel cell conditions.

A Novel Peak-to-Average Power Ratio Reduction for 5G Advanced Waveforms

Multi and single carrier waveforms are utilized in cellular systems for high-speed data transmission. In The Fifth Generation (5G) system, several waveform techniques based on multi carrier waveforms are proposed. However, the Peak to Average Power Ratio (PAPR) is seen as one of the significant concerns in advanced waveforms as it degrades the efficiency of the framework. The proposed article documents the study, progress, and implementation of PAPR reduction algorithms for the 5G radio framework. We compare the PAPR algorithm performance for advanced and conventional waveforms. The simulation results reveal that the advanced Partial Transmission Sequence (PTS) and Selective Mapping (SLM) methods enhanced the throughput and gain of the 5G waveforms. Furthermore, we have also analyzed the performance of Orthogonal Time Frequency Space Modulation (OTFSM) based on a single carrier system and found that PAPR is significantly low and is best suited to fading environments. It is seen that the conventional algorithms lower the PAPR but increase the complexity. The proposed PTS and SLM have shown good performance with low computational complexity.

Advanced Transmission Electron Microscopy Investigation of Defect Formation in Movpe-Growth of Gap on Silicon Using Arsenic Initial Coverage

Advanced Transmission Electron Microscopy Investigation of Defect Formation in Movpe-Growth of Gap on Silicon Using Arsenic Initial Coverage

Tuning the ceria interfaces inside the dual phase oxygen transport membranes

Dual-phase oxygen transport membranes (DP-OTMs) offer a good alternative for the separation of oxygen from gas mixtures. As a promising candidate, the overall performance of the fluorite-spinel composite CexGd1-xO2-δ-FeyCo3-yO4 (CGO-FCO) is often dominated by the behavior of the CGO-CGO grain boundaries (GBs), such as solute and non-solute segregations and structural disorders within the boundary. Due to the largely unknown atomistic GB environment, any attempt to control the GBs for an optimized membrane performance is still severely limited. In order to bridge this essential gap, utilizing advanced transmission electron microscopy (TEM) techniques, we quantified both atomistic and chemical structures at the CGO GBs inside the CGO-FCO DP-OTMs down to sub-nm scale. The atomic-site specific lattice distortions, elemental distributions, and valence state variations were found to be well confined within ∼2 nm around the GB, where a clear dependence on the structural coherence of individual GBs can be established. Our results further unraveled the complicated CGO GB environment inside real DP-OTMs, and paved the path towards optimized processing of various types of functional membranes.

3D Binary Mesocrystals from Anisotropic Nanoparticles.

Binary mesocrystals offer the combination of nanocrystal properties in an ordered superstructure. Here, we demonstrate the simultaneous self‐assembly of platinum and iron oxide nanocubes into micrometer‐sized 3D mesocrystals using the gas‐phase diffusion technique. By the addition of minor amounts of a secondary particle type tailored to nearly identical size, shape and surface chemistry, we were able to promote a random incorporation of foreign particles into a self‐assembling host lattice. The random distribution of the binary particle types on the surface and within its bulk has been visualized using advanced transmission and scanning electron microscopy techniques. The 20–40 μm sized binary mesocrystals have been further characterized through wide and small angle scattering techniques to reveal a long‐range ordering on the atomic scale throughout the crystal while showing clear evidence that the material consists of individual building blocks. Through careful adjustments of the crystallization parameters, we could further obtain a reverse superstructure, where incorporated particles and host lattice switch roles.

Evidence of Mn-Ion Structural Displacements Correlated with Oxygen Vacancies in La0.7Sr0.3MnO3 Interfacial Dead Layers.

The properties of half-metallic manganite thin films depend on the composition and structure in the atomic scale, and consequently, their potential functional behavior can only be based on fine structure characterization. By combining advanced transmission electron microscopy, electron energy loss spectroscopy, density functional theory calculations, and multislice image simulations, we obtained evidence of a 7 nm-thick interface layer in La0.7Sr0.3MnO3 (LSMO) thin films, compatible with the formation of well-known dead layers in manganites, with an elongated out-of-plane lattice parameter and structural and electronic properties well distinguished from the bulk of the film. We observed, for the first time, a structural shift of Mn ions coupled with oxygen vacancies and a reduced Mn valence state within such layer. Understanding the correlation between oxygen vacancies, the Mn oxidation state, and Mn-ion displacements is a prerequisite to engineer the magnetotransport properties of LSMO thin films.

Dislocation microstructure and its influence on corrosion behavior in laser additively manufactured 316L stainless steel

The hierarchical nature of additively manufactured materials necessitates a multimodal approach for quantifying microstructural features and corresponding chemical heterogeneities that ultimately impact their properties and performance. In laser powder-bed fusion (L-PBF) 316L stainless steel, corrosion behavior has been discussed in the context of chemical heterogeneities formed in the presence of these hierarchical microstructures. Here, we employ a suite of advanced synchrotron x-ray techniques and correlative transmission electron microscopy for the analysis of microstructure and chemical heterogeneities in L-PBF 316L as a function of printing speed. Our findings reveal an appreciable dislocation density consistent with the formation of a cellular dislocation microstructure in L-PBF 316L, which is correlated to spatial variations in the local Cr concentration and the formation of complex Mn 7 C 3 nanoinclusions. Cyclic voltammetry experiments reveal that relative to wrought 316L, the printed samples exhibit either a comparable or marginally reduced susceptibility to uniform corrosion but with an increased affinity for pitting particularly in the samples printed at the highest speed with the largest dislocation density. Given the spatial correlations between regions of high dislocation density and the formation of chemical heterogeneities known to degrade corrosion performance, our findings demonstrate the impact of the microstructural defect state and its variation with printing speed on the resistance of L-PBF 316L to uniform and localized corrosion.

Introduction to the focused section on new trends in modelling and simulation for intelligent robotics

Advanced functional materials, drives and transmissions, sensors and mechanisms provide solid foundations for developing intelligent robots, for which modelling and simulation tools have contributed greatly to these developments, and facilitated deployments and applications of intelligent robots. Motivated by rapid developments of sensor fusion, intelligent control and machine learning tools and their widely availability at low cost, this special issue aims at disseminating new modelling and simulation methods for developing intelligent robotic systems and their applications. With the emerging applications to robotics, this focused section competitively selects the 10 research papers covering a spectrum of modeling of novel single robots, human-robot interactive systems, and even robotic automation process, which includes modeling of biped and wearable robots, parallel mechanisms, autonomous robots, and robot-environment interaction, as well as modeling with robot visions.

(Invited) ALD of Hexagonal Boron Nitride: Towards h-BN/Carbon Van Der Waals 1D Heterostructures

Following the graphene isolation, strong interest in two dimensional (2D) materials has been driven by their outstanding properties. Their typical intrinsic structure, including strong in-plane covalent bonding and weak out-of-plane Van der Waals interaction, makes them highly promising in diverse areas such as electronics, catalysis, and environment. Growth of 2D materials and staking of such materials, called van der Waals (VdW) heterostructures, require a synthesis approach able to control the deposition onto a support at the atomic scale. Thanks to their simplicity, versatility and ability to control thickness at the angstrom level, Atomic Layer Deposition (ALD) and its variant Atomic Layer Etching (ALET) appear as ones of the most suited techniques to synthesize 2D materials and based-heterostructures. In line with the spectacular improvement and emergence of new physical properties in 2D VdW heterostructures, the curvature and confinement effects provided by the reduced dimensionality of 1D VdW heterostructures make them highly attractive.Herein, ALD of hexagonal Boron Nitride (hBN) is discussed towards fabrication of VdW heterostructures. After introducing the two-step ALD approach for BN, based on polymer derived ceramic chemistry, deposition of hBN onto various carbon nanomaterials is presented. The influence of the degree of graphitization of the carbon substrate on BN growth (nucleation delay) and structure (amorphous, turbostratic, hexagonal phase) is discussed. Indeed, inertness of highly graphitic carbon might inhibit the initiation of ALD growth. The obtained BN-coated carbon materials are characterized by advanced analytic transmission electron microscopy. Particular attention is paid here to the successful fabrication of 1D VdW heterostructures made of few layer hBN coated-single wall carbon nanotubes. These new 1D materials are of particular interest for applications ranging from sensing and quantum optics, to biological labeling.

(Invited) Understanding the Degradation of Nanocatalysts in PEM Fuel Cells By Identical Location Aberration-Corrected TEM/STEM

A thorough knowledge of the atomic structure and composition of catalyst nanoparticles is paramount to the development of advanced materials for proton exchange membrane fuel cells (PEMFC), one of the most promising energy conversion devices for automotive and stationary applications. Pt and Pt-based alloys nanoparticles (NPs) are currently used as the catalyst to promote the kinetics of the hydrogen oxidation and oxygen reduction reactions in the anode and cathode of the fuel cell, respectively. Yet, the durability of the catalysts remains the main issue for their commercialization.In this talk, the focus is to understand the behavior of Pt and Pt-alloy NPs during the various stages of fuel cell cycling. For this purpose a set-up was developed to simulate the effect of voltage cycling on the cathode side of the fuel cell. In this set up, catalyst NPs supported on carbon nanotubes and amorphous carbon were deposited on a gold TEM grid attached to a gold plate, which is used as a working electrode in a three electrode electrochemical cell. The NPs were then observed by advanced transmission electron microscopy, before and after cycling. The experiments show particle migration in conjunction with carbon corrosion during the initial cycles, whereas the appearance of single atoms and atomic clusters on the surface of the carbon support appear after additional voltage cycling as a result of surface dissolution of NPs. For the case of alloyed NPs, the experiments show a heterogeneous deposition of Pt on the NPs. Keywords: Catalysts, Nanoparticles, Proton Exchange Membrane Fuel Cells, Aberration-corrected TEM/STEM, Tomography, Identical Location TEM.

Fundamental Insight into the Role of Surface Modification on Cycling Stability and Fast Charge Performance of Ceramic Lib Cathodes

There are numerous promising ceramic cathodes for lithium ion batteries (LIBs), ranging from established fast-charge LFP to emerging high voltage low-Co or Co-free materials. Their fast charge and cycling performance can be greatly enhanced with various ceramic and/or carbon coatings. This presentation discusses coating approaches for several cathode systems, focusing on their effect on the microstructural stability during cycling. Advanced transmission electron microscopy (TEM) is the primary tool employed, combined with various syntheses, analytical and electroanalytical methods. For example, analysis is performed on the role of Zr surface modification on the electrochemical performance of Li and Mn-rich (LMR) cathodes. It is demonstrated that a Zr-based rock-salt structure layer with a thickness of 1−2 nm is formed on the surface of the LMR. This layer is effective in suppressing the deleterious phase transformation of LMR from initial layered composite combining Li2MO3 and LiMO2 to the disordered rock-salt phase, leading to an enhanced long-term cycling performance and rate capability. The capacity-voltage fade phenomenon in lithium iron phosphate (LiFePO4) cathodes is not understood, with this study providing the first atomic-scale description: Cycling causes near-surface (∼ 30 nm) amorphization of the Olivine crystal structure, with isolated amorphous regions also being present deeper in the bulk crystal. Within this amorphous shell, some of the Fe2+ is transformed into Fe3+. Simulations predict that amorphization significantly impedes ion diffusion in LiFePO4 and even more severely in FePO4. A pyrrole coating suppresses the dissolution of Fe and allows for extended retention of the Olivine structure. It also reduces the level of crossover of iron to the metal anode and stabilizes its solid electrolyte interphase, thus also contributing to the half-cell cycling stability.

(Invited) Microstructural Design Principles and Fundamental Insight for Achieving Stable Electrochemical Interfaces for Metal Anodes and for Ceramic Cathodes

Lithium metal battery systems (LMBs) are being sought as an ultimate replacement to LIBs, potentially increasing the cell energy by over fifty percent due to the high capacity and low voltage of the metal anode. Analogous improvement in energy is possible with sodium metal batteries (NMBs) and with potassium metal batteries (KMBs), where existing ion insertion anodes can be replaced by plating/stripping metal. However, in all three cases safety and performance are compromised by an unstable solid electrolyte interphase (SEI) that consumes metal ions and electrolyte, and ultimately leads to dendrites. This presentation provides a series of case studies derived from the group's LMB, NMB and KMB research on the microstructural design principles that provide for long-term cycling and fast-charge stability of metal anodes. The approaches may be categorized as the following: a) design of plating/stripping supports and templates with tuned geometry and functionality; b) design of secondary interlayers placed between the metal anode and the separator; and c) design of multifunctional hybrid separators to replace the conventional polymer separators employed with LIBs. It is demonstrated that despite appearing distinct, the efficacy of each in enabling electrochemical stability originates from three fundamental features that are directly interrelated. The wetting behavior of the electrolyte on the anode must be optimized, the wetting/stripping behavior of the metal anode on the current collector must be controlled, and a geometrically and chemically modified SEI must be established. Simultaneously achieving all three leads to stable plating/stripping, while missing even one leads to rapid dendrite growth. There seems to be no exceptions to these rules with either Li, Na or K. In parallel this presentation will discuss fundamental insights into the role of surface modification on cycling stability and fast charge performance of ceramic LIB cathodes. Advanced transmission electron microscopy (TEM) was the primary tool employed, combined with various syntheses, analytical and electroanalytical methods. For example, analysis is performed on the role of Zr surface modification on the electrochemical performance of Li and Mn-rich (LMR) cathodes. The capacity-voltage fade phenomenon in LFP cathodes is not understood, with this study providing the first atomic-scale description of the process. It is demonstrated how a pyrrole coating suppresses the dissolution of Fe and allows for extended retention of the Olivine structure. It also reduces the level of crossover of iron to the metal anode and stabilizes its solid electrolyte interphase, thus also contributing to the half-cell cycling stability. These findings were recently published in Advanced Materials, Energy & Environmental Science, Advanced Energy Materials and Chemistry of Materials.

Advanced Electron Energy Loss Spectroscopy for Battery Studies

AbstractAs a powerful tool for chemical compositional analyses, electron energy loss spectroscopy (EELS) can reveal an abundance of information regarding the atomic‐level electron state in a variety of materials, including the elemental types as well as their valence and concentration distributions, and the structure‐related atom radial distribution. Benefiting from its unique capabilities and the newly developed advanced transmission electron microscope (TEM) configurations (i.e., in situ bias, in situ heating, cryo‐TEM, etc.), EELS has facilitated the battery studies in various aspects. Here, a brief introduction of EELS is provided. Thereafter, a description of the recent progress in studying battery materials using EELS is provided, and finally a look ahead on the future development of EELS techniques and their applications in battery studies is provided.

Better lesion conspicuity translates into improved prostate cancer detection: comparison of non-parallel-transmission-zoomed-DWI with conventional-DWI

To compare advanced non-parallel transmission zoomed diffusion-weighted imaging (nonPTX zoom-DWI) to conventional DWI (conv-DWI) for the assessment of prostate cancer (PCa). This retrospective study included 98 patients who underwent conv-DWI, nonPTX zoom-DWI, and T2-weighted imaging of the prostate. The image qualities of the two DWI sets, including the distortion of the prostate and the existence of artifacts, were evaluated. To compare the overall PCa and clinically important PCa (ciPCa) detection ability between the sets, lesions were scored using the Prostate Imaging Reporting and Data System (PI-RADS) version 2. Apparent diffusion coefficient (ADC) values of the lesions were also measured and compared. The Mann-Whitney U test was used to compare continuous variables, and the χ2 test was used to compare categorical variables. Two-sided P values of < 0.05 were considered significant. Non-PTX zoom-DWI yielded significantly better image quality and image analysis reproducibility than conv-DWI (all P < 0.001). Compared with conv-ADC, nonPTX zoom-ADC showed slightly better detection performance for overall PCa (AUC: 0.827 vs. 0.797; P = 0.55) and ciPCa (AUC: 0.822 vs. 0.749; P = 0.58). At a PI-RADS score of 4 as the cutoff value for PCa prediction, nonPTX zoom-DWI showed significantly higher diagnostic efficiency for overall PCa detection (sensitivity: 87.9% vs. 72.4%; specificity: 87.5% vs. 77.5%; both P < 0.05) and ciPCa detection (sensitivity: 86.3% vs. 74.5%; specificity: 72.3% vs. 63.8%; both P ≤ 0.001). Non-PTX zoom-DWI yields better image quality and higher PCa detection performance than Conv-DWI.

The dependence of stress and strain rate on the deformation behavior of a Ni‐based single crystal superalloy at 1050°C

AbstractNi‐based single crystal (SX) superalloys are important high‐temperature materials used for manufacturing turbine blades in aero‐engines. During service under combinational impacts of temperature and stress, the SX superalloy may reach its life due to plastic deformation, which normally accompanies time‐dependent microstructural degradation. To reveal this dynamically mechanical response, tensile tests at 1050°C are carried out to record stress‐strain curves at five stain rates as well as creep curves at four applied stresses. Deformed microstructures and defects have been analyzed to understand mechanical behaviors and the underlying mechanism by using advanced scanning electron and scanning transmission electron microscopes. Results show that the deformation mode of the alloy strongly depends on the strain rates/applied stresses under mechanical loading. The dislocation density inside the γ phase is extremely low at all tests, indicating that the γ phase is relatively weak and ready to flow at this temperature even at a very fast strain rate. The deformation behavior of the γ′ phase is much complicated. At fast strain rates or high applied stresses, the dislocation density in the γ′ phase is very high, contributing to high‐stress requirements to deform the material. At slow strain rates or low applied stresses, rafting microstructures develop and the deformation mode becomes directional coarsening/diffusion‐dominated. Our results demonstrate a comprehensive understanding of the deformation mechanism of Ni‐based SX superalloys, which may provide lifetime prediction of the mechanical failure, as well as the database for superalloy applications in mechanical systems.

Analyzing the BER and optical fiber length performances in OFDM RoF links

Radio over fiber (RoF) can be assessed as a system of most convenient combination of optical fiber and radio signals. The technique of orthogonal frequency division multiplexing (OFDM) considers as a data distribution over a huge number of carriers having spaced from each other with specific frequencies at overlap bands. Hence incorporates OFDM with the optical fiber, OFDM-RoF system can be increased the modulation RF access capacity besides high-speed data transmission, it considers a broadband communication trend of the current and future applications specifically for 5G mobile. The optical network scenarios of various RF can be model with optisystem software, and OFDM in addition to use a section of the orthogonal multiplex frequency of 16-quadrature amplitude modulation (QAM) RF modulating signal. In the optical domain, Mach-Zehnder modulator (MZM) optical modulators are used to carry out different results with different fiber lengths. An OFDM-RoF wireless communication system considers as advanced data rate transmission achievement by minimum delays. The essential goal of this paper is for identifying the minimum bit error rate (BER) for the 16-QAM modulation with varying fiber length. The OFDM-RoF system can be able for realizing a fiber length 100 km with a restricted decreasing in the received power so that the constellation noise is became greater despite of applying electrical amplification and optical amplification.

Laser-generated high entropy metallic glass nanoparticles as bifunctional electrocatalysts

High entropy metallic glass nanoparticles (HEMG NPs) are very promising materials for energy conversion due to the wide tuning possibilities of electrochemical potentials offered by their multimetallic character combined with an amorphous structure. Up until now, the generation of these HEMG NPs involved tedious synthesis procedures where the generated particles were only available on highly specialized supports, which limited their widespread use. Hence, more flexible synthetic approaches to obtain colloidal HEMG NPs for applications in energy conversion and storage are highly desirable. We utilized pulsed laser ablation of bulk high entropy alloy targets in acetonitrile to generate colloidal carbon-coated CrCoFeNiMn and CrCoFeNiMnMo HEMG NPs. An in-depth analysis of the structure and elemental distribution of the obtained nanoparticles down to single-particle levels using advanced transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) methods revealed amorphous quinary and senary alloy phases with slight manganese oxide/hydroxide surface segregation, which were stabilized within graphitic shells. Studies on the catalytic activity of the corresponding carbon-HEMG NPs during oxygen evolution and oxygen reduction reactions revealed an elevated activity upon the incorporation of moderate amounts of Mo into the amorphous alloy, probably due to the defect generation by atomic size mismatch. Furthermore, we demonstrate the superiority of these carbon-HEMG NPs over their crystalline analogies and highlight the suitability of these amorphous multi-elemental NPs in electrocatalytic energy conversion.

Novel approach for validation of innovative modules for railway traffic management systems in a virtual environment

To increase operational efficiency, resilience and capacity of the railway system, the development of modern railway traffic management system (TMS) has attracted more and more attention in recent years. To support the development and implementation of the next generation of TMS and related applications, advanced data collection, transmission and processing approaches, digitalised databases, and virtual validation platforms, etc., are required. In the context of the TMS development (addressed by Technology Demonstrator 2.9 of Shift2Rail Innovation Programme 2), this support is to be provided by a scalable, interoperable and standardised communication platform for internal and external communication between different subsystems, applications and clients. This paper outlines the approach of the ongoing OPTIMA project aimed to develop a communication platform demonstrator for railway TMS based on a novel Integration Layer (IL) and its various interfaces to entities including integration layer services, TMS service, rail business service, external services and operator workstations. Further detailed discussion in this paper relates to the approach to validating the communication platform demonstrator as a functional entity, and as a virtual testing environment to validate railway traffic management and other applications. The validation approach for the applications tested on the communication platform demonstrator is also presented. The results of future implementation of this validation approach will be used to assess the functionality of the communications platform demonstrator developed, and the initial TMS applications tested on it, and form an important step towards developing and implementing IL based communications platforms for future TMSs.

Engineering Individual Oxygen Vacancies: Domain-Wall Conductivity and Controllable Topological Solitons.

Nanoscale devices that utilize oxygen vacancies in two-dimensional metal-oxide structures garner much attention due to conductive, magnetic, and even superconductive functionalities they exhibit. Ferroelectric domain walls have been a prominent recent example because they serve as a hub for topological defects and hence are attractive for next-generation data technologies. However, owing to the light weight of oxygen atoms and localized effects of their vacancies, the atomic-scale electrical and mechanical influence of individual oxygen vacancies has remained elusive. Here, stable individual oxygen vacancies were engineered in situ at domain walls of seminal titanate perovskite ferroics. The atomic-scale electric-field, charge, dipole-moment, and strain distribution around these vacancies were characterized by combining advanced transmission electron microscopy and first-principle methodologies. The engineered vacancies were used to form quasi-linear quadrupole topological defects. Significant intraband states were found in the unit cell of the engineered vacancies, proposing a meaningful domain-wall conductivity for miniaturized data-storage applications. Reduction of the Ti ion as well as enhanced charging and electric-field concentration were demonstrated near the vacancy. A 3–5% tensile strain was observed at the immediate surrounding unit cells of the vacancies. Engineering individual oxygen vacancies and topological solitons thus offers a platform for predetermining both atomic-scale and global functional properties of device miniaturization in metal oxides.