Surface Defects Research Articles

Multidimensional Engineering to Construct Ru/TiO2 Catalysts Enriched with Pores and Ti3+ Defects for Highly Efficient Selective Hydrogenation of Benzene

AbstractStructural engineering, coupled with crystalline phase engineering and surface engineering, serves as a practical and effective strategy for enhancing catalytic performance through the fine design of catalysts in terms of their structure, physical phases and surface defects. In this work, a set of strategies were employed for structural transformation and crystalline phase transition of Ru/TiO2 catalysts, utilizing multidimensional regulation. Ru nanoparticles loaded on a unique TiO2 nanosheet flowers (Ru/TSFs) enriched with pores and Ti3+ defects were prepared by solvothermal and impregnation‐chemical reduction methods. The Ru/TSFs exhibited an outstanding catalytic performance in the reaction of selective hydrogenation of benzene for the preparation of cyclohexene, with a selectivity of 79 % and a maximum yield of 52.8 % along with a benzene conversion of 45.9 % and a good stability. The excellent catalytic performance attributes to the distinctive structure of three‐dimensional nanosheet flowers, which offers a high specific surface area and improvs the effective contact between the catalyst and the reaction substrate. Meanwhile, the porous Ru/TSFs exhibit exceptional hydrophilicity and abundant Ti3+ defects on their surface, which is quite favorable for the desorption of cyclohexene from the reaction system, thus improving the selectivity of cyclohexene. The multidimensional engineering may provide an efficient approach for constructing high‐performance loaded catalysts for potential industrial applications.

Internal damage evolution of C/SiC composites in air at 1650 °C studied by in-situ synchrotron X-ray imaging

Carbon fibre reinforced silicon carbide (C/SiC) ceramic matrix composites have attracted considerable attention due to their exceptional properties and extensive potential applications as high-temperature structural materials. However, due to their complex structure and manufacturing defects, C/SiC composites exhibit intricate mechanical behaviour under thermal-mechanical-oxidative coupling environments. To date, systematic studies on the internal damage evolution and failure mechanisms of C/SiC composites under high-temperature oxidative environments are lacking. In this study, a combination of synchrotron X-ray micro-computed tomography (SR-μCT) and in-situ experiments under thermal-mechanical-oxidative coupling environments at room temperature and 1650 °C in air was used to characterize the internal microstructures and damage evolution processes of C/SiC composites at different loading levels. Additionally, the 3D strain fields during in-situ loading were quantitatively analysed using the Digital Volume Correlation (DVC) method. The findings underscore the substantial impact of oxidative damage on the mechanical response of C/SiC composites, particularly concerning tensile properties and fracture modes. At room temperature, severe delamination, fibre bundle pull-out and interfacial debonding occurred internally. Whereas, under high-temperature atmospheric conditions, severe fibre oxidation reactions occurred at the specimen edges, resulting in rapid porosity escalation. Crack initiation from surface defects followed by rapid inward propagation is observed. Moreover, while the strain distribution remains relatively uniform until fracture, a pronounced concentration of strain is evident near the fracture zones at room temperature, with an even greater concentration observed at 1650 °C. Notably, the region of concentrated strain within the 3D deformation field corresponds closely to the final fracture location, as revealed by quantitative DVC analysis.

Hierarchical robot learning method for industrial fluorescent penetrant inspection

Fluorescent Penetrant Inspection (FPI) is a Non-Destructive Testing (NDT) method, extensively used to evaluate components for identifying defects across a broad range of industries. FPI process remains a manual visual inspection, where the operator by means of fluorescent dye, that penetrates discontinuities on the component, aims to distinguish between indications that are relevant (i.e., can be associated with surface defects) and non-relevant (i.e., can be associated to insufficient wash-off, dust or other non-relevant factors). The FPI process can be decomposed into the following steps: (a) thorough visual examination of the component, (b) executing manual wiping-off of the fluorescent dye with a brush, of all areas that require interrogation for potential indications, and (c) disposition of the inspected components. The number of those areas on the component that require interrogation and hence to be wiped-off is unknown a priori of the inspection and varies depending on the condition of the part. As a result, replacing this manual wipe-off step by a robot requires tedious manual programming of an excessive number of robot paths to assure reach of the robot to the entire surface of the part as well as safe robot motion. In addition, these robot motions are part specific and thus not transferrable to other geometries of components, making scaling of this technology across manufacturing industry not possible. In this paper, we propose a hierarchical robot learning method to address the challenge of reducing manual robot programming and enable the scaling of this automated NDT technology. The proposed method integrates and fuses Deep Reinforcement Learning (DRL), Screw Linear Interpolation (ScLERP) and Learning from Demonstration (LfD), enabling an autonomous generation of brushing strokes with a six-degrees of freedom (DoF) industrial manipulator, and automating the wipe-off step of the FPI process. Using this approach, a robot learning policy is generated for the wipe-off motion in a simulated industrial robotic cell at first and then the policy is transferred to the real system for validation.

Molecular simulation of gas entrapment near a nanoscale cavity: The interplay of surface wettability, cavity shape, and gas type

Surface cavities play a crucial role in trapping and stabilizing gases, a phenomenon that can be used to facilitate applications in separation and drying processes. Understanding surface characteristics in relation to fluid-surface interactions is essential for designing interfacial properties that enable effective processes. In this work, we adopt a molecular simulation approach to investigate gas adsorption and entrapment in surface defects (cavities), focusing on the influence of surface wettability, cavity shape, and gas type. For this purpose, two types of silica-based surfaces with different levels of wettability (methylated and hydroxylated, with the former having lower water wettability), two cavity shapes with identical opening width and depth (V-shaped and square-shaped), and two types of gas (carbon dioxide and nitrogen) are considered. Our observations indicate that a stable gas nanobubble forms when a methylated surface combines with a square-shaped cavity, regardless of the gas type. In contrast, for hydroxylated surface, gas type becomes important; in a square-shaped cavity, nitrogen forms a stable nanobubble while CO2 is trapped in a monolayer fashion. The interfacial forces between the gas and surface which affects gas configuration near the surface, along with the gas molecules’ self-interaction manifested by solubility, are key to the different entrapment modes for N2 and CO2. Moreover, the square-shaped cavity exhibits better capability in trapping gas compared to the V-shaped cavity due to its higher surface area and smaller opening-to-interior ratio. The results of our molecular simulations can guide the design of surface features and processing systems to modify gas entrapment modes and stabilize nanoscale gas bubbles without altering thermodynamic conditions or fluid properties.

Atomic-scale mechanistic study of oxygen reduction mechanism for B-site doped Pr(Ba,Sr)Co2O5+δ by density functional theory calculations

Pr(Ba,Sr)Co2O5+δ is a promising cathode material for solid oxide fuel cell (SOFC) due to its high oxygen ion transport capability and oxygen reduction activity. Density functional theory (DFT) calculations were performed to elucidate the oxygen reduction mechanism of B-site doped Pr(Ba,Sr)(Co,M)2O5+δ (M = Fe, Ni, Cu, and Zn) materials. First, we investigated the formation of O vacancies. The results indicate that Cu and Zn doping facilitate O vacancy formation, resulting in lower O vacancy formation energies. Furthermore, the interaction between oxygen and the (0 0 1) surfaces of B-site doped Pr(Ba,Sr)(Co,M)2O5+δ has been comprehensively discussed, involving both perfect and defective surfaces. The results demonstrate that the presence of O vacancies enhances the catalytic activity for oxygen reduction, by reducing the energy required for O2 dissociation. Zn-doped Pr(Ba,Sr)(Co,M)2O5+δ exhibits a low O vacancy formation energy, resulting in a stable adsorption configuration upon oxygen dissociation, indicating its potential as a cathode material for SOFC.

Microstructure analysis of SS316L using Selective Laser Melting

Abstract Additive manufacturing has emerged as a prominent and expanding domain in materials engineering, driven by a rising need for customized, highly accurate, and readily available production. Applying the selective laser melting (SLM) technique further is delayed by the layer-by-layer melting and solidification of the metal powder. The impeller constructions were extracted from a substrate, with the bending curvature as an indicator of the stress level. This research aims to analyze the quality of impeller components, surface roughness, and microstructural features of components made for the SS316L. The microstructure examinations show the part is free from the surface and internal defects are verified.

Mn Doped MoO3 with Self-Assembled Nanoflowers Structure and Enhanced Gas Sensing Properties to Triethylamine

Increasing quality of life requires low power consumption and reliable gas sensing technology for real-time monitoring of the environment. Herein, based on the principle of ion compensation and charge compensation, Mn-doped MoO3 self-assembled nanoflowers were designed and prepared, and their gas-sensing performance were studied. Benefiting from abundant defective sites and surface chemical state changes, the sensor exhibits superior characteristics for triethylamine detection, including ultrahigh response (436.9), short response time (7 s), small detection limit (1 ppm), and remarkable selectivity. The gas-sensitive mechanism of M-MoO3 was explained from the points of view of charge compensation and ion compensation, and it was proved that the incorporation of Mn into MoO3 was an effective way to improve its gas sensitivity. This work provides a potential strategy for widespread triethylamine detection and provides new ideas for the design of high-performance sensors.

Nickel doped enhanced LaFeO3 catalytic cracking of tar for hydrogen production

The transformation of biomass into green energy was pivotal for sustainable development, yet the efficient conversion of biomass-derived tar into hydrogen-rich syngas remained a significant challenge. This study addressed the catalytic demand for hydrogen production from tar, focusing on the development of LaNixFe1-xO3 perovskites as catalysts. A series of LaNixFe1-xO3 perovskites with varying nickel doping levels (x=0, 0.25, 0.5, 0.75, 1) were synthesized to evaluate their catalytic performance in converting toluene, a representative tar component, into hydrogen. The LaNi0.5Fe0.5O3 catalyst demonstrated the highest hydrogen yield (14.5L/6h) and volume percentage (82.9V/V%), highlighting the optimal nickel doping level for enhancing hydrogen production. The hydrogen production performance of LaNixFe1-xO3 was significantly affected by nickel doping. In particular, a small amount of nickel doping can significantly enhance the hydrogen production capacity of LaFeO3 and maintain good reaction stability. The enhanced performance was attributed to the high oxygen storage capacity of perovskite, which facilitated the removal of surface carbon and promotes the methanation reaction. Notably, the total content of defect oxygen and surface adsorbed oxygen/hydroxyl groups significantly impacted the hydrogen production efficiency. These findings indicated that LaNi0.5Fe0.5O3 was an effective catalyst for converting biomass-derived tar into hydrogen-rich syngas, offering a promising solution to the catalytic demand in the hydrogen production system.

High temperature induced abundant closed nanopores for hard carbon as high-performance sodium-ion batteries anodes

Hard carbon (HC) stands out as the preeminent anode material for sodium-ion batteries (SIBs) which are deployed in expansive energy storage infrastructures. Herein, the large enough graphene nanosheets interlayer and abundant nanopores with a diameter of ∼2.1 nm induced by adjusting the pyrolysis temperature in the thermosetting phenolic resin-derived hard carbon matrix to augment the performance of the sodium ion storage. The presence of sufficiently large carbon interlayers has been proven to provide active sites for reversible adsorption, enabling effective storage of sodium ions in the high-voltage slope region, while also promoting rapid Na+ transport. Meanwhile, forming abundant closed nanopores with larger sizes helps sodium ion storage in the low-voltage plateau region. In the optimized samples, the formation of sufficient long graphene nanosheets with a perfect crystal lattice, which further shrinks to form enclosed nanopores, effectively reduces defective sites and specific surface area. Additionally, the appropriate content of C-O and C=O functional groups contributes to an exceptional initial Coulombic efficiency (ICE) of up to 93%. Simultaneously, the optimized sample HC-1500 contributes to a remarkable plateau capacity of 294 mAh g-1 during the charging process (high reversible capacity of 403 mAh g-1 at 0.1 C). Moreover, based on the microstructure evolution and Na storage behavior of hard carbon, an “adsorption (27%) – filling (73%)” sodium storage mechanism that the sodium storage as a quasi-metallic sodium state is demonstrated. Consequently, this study will offer valuable insights for the development of hard carbon anodes tailored for high-energy practical SIBs, while also advancing the understanding of sodium storage mechanisms.

Concurrent Amorphization and Nanocatalyst Formation in Cu-Substituted Perovskite Oxide Surface: Effects on Oxygen Reduction Reaction at Elevated Temperatures.

The activity and durability of chemical/electrochemical catalysts are significantly influenced by their surface environments, highlighting the importance of thoroughly examining the catalyst surface. Here, Cu-substituted La0.6Sr0.4Co0.2Fe0.8O3-δ is selected, a state-of-the-art material for oxygen reduction reaction (ORR), to explore the real-time evolution of surface morphology and chemistry under a reducing atmosphere at elevated temperatures. Remarkably, in a pioneering observation, it is discovered that the perovskite surface starts to amorphize at an unusually low temperature of approximately 100 °C and multicomponent metal nanocatalysts additionally form on the amorphous surface as the temperature raises to 400 °C. Moreover, this investigation into the stability of the resulting amorphous layer under oxidizing conditions reveals that the amorphous structure can withstand a high-temperature oxidizing atmosphere (≥650 °C) only when it has undergone sufficient reduction for an extended period. Therefore, the coexistence of the active nanocatalysts and defective amorphous surface leads to a nearly 100% enhancement in the electrode resistance for the ORR over 200 h without significant degradation. These observations provide a new catalytic design strategy for using redox-dynamic perovskite oxide host materials.

Influence of surface defect modulation based on ionic liquids on performances of perovskite films

Influence of surface defect modulation based on ionic liquids on performances of perovskite films

YOLO-HLT: improved lightweight printed circuit board surface defect detection algorithm based on YOLOv5

YOLO-HLT: improved lightweight printed circuit board surface defect detection algorithm based on YOLOv5

Improved efficiency and stability of inverse perovskite solar cells via passivation cleaning

Amidst the global energy and environmental crisis, the quest for efficient solar energy utilization intensifies. Perovskite solar cells, with efficiencies over 26% and cost-effective production, are at the forefront of research. Yet, their stability remains a barrier to industrial application. This study introduces innovative strategies to enhance the stability of inverted perovskite solar cells. By bulk and surface passivation, defect density is reduced, followed by a "passivation cleaning" using Apacl amino acid salt and isopropyl alcohol to refine film surface quality. Employing X-ray diffraction (XRD), scanning electron microscope (SEM), and atomic force microscopy (AFM), we confirmed that this process effectively neutralizes surface defects and curbs non-radiative recombination, achieving 22.6% efficiency for perovskite solar cells with the composition Cs0.15FA0.85PbI3. Crucially, the stability of treated cells in long-term tests has been markedly enhanced, laying groundwork for industrial viability.

Recent Progress of Thin Crystal Engineering for Perovskite Solar Cells.

Metal halide perovskite single crystals hold promise for photovoltaics with high efficiency and stability due to their superior optoelectronic properties and weak bulk ion migration. The past several years have witnessed rapid development of single-crystal perovskite solar cells (PSCs) with efficiency rocketed from 6.5% to 24.3%, however, which still lags behind their polycrystalline counterparts. Moreover, the poor device stability under light illumination is contrary to the high ion migration barrier of perovskite single crystals. The key limiting factors should be the low crystalline quality and high surface defect density of solution-grown thin single crystals. Under this circumstance, a review paper summarizing the recent progress and challenges will be instructive for future development of this emerging field. In this manuscript, the crystal engineering used to enhance carrier transport and suppress carrier recombination in vertical single-crystal PSCs will be summarized initially, including crystal growth, component control, surface and interface modification. Subsequently, the application of perovskite single crystals in lateral single-crystal PSCs will be discussed and compared with the conventionally vertical structure. Finally, the challenges and proposed strategies for the development of single-crystal PSCs are provided.

Surface Ligands for Perovskite Quantum Dots.

The combination of the quantum confinement effect of quantum dots (QDs) and unique photoelectric properties of perovskite semiconductors make perovskite quantum dots (PQDs) a promising candidate for photoelectric devices. To truly unlock their potential, a deep understanding of structure-property relationship is paramount. Among the various factors influencing this relationship, the role of surface ligands cannot be overstated. The polarity, conductivity, stability, and interaction effects of these ligands with QD surfaces create complicated ligand-QDs relationships, which greatly influences the successful synthesis of QDs. In essence, the surface chemistry of ligands serves as a critical determinant in shaping the properties of both the resulting QDs and QD-based devices. To address this, our paper introduces an innovative approach to studying ligands, utilizing their inherent functional groups as a classification criterion. It is begun by discussing the types of surface defects of PQDs and the functional groups used for passivation, emphasizing the importance of analyzing ligands based on their functional groups. Then the passivation mechanisms of ligands with various functional groups and their impact on enhancing QD performance are delved into. Ultimately, this paper summarizes and offers several design principles and rules for PQDs surface ligands that can be applied in most scenarios.

Critical damage events of 3D printed AlSi10Mg alloy via in situ synchrotron X-ray tomography

Fish-scale-like melt pool structures and internal defects are unique characteristic in additively manufactured (AM) metals. These features play a critical role in the damage and fracture processes under different service conditions, governing the material's performance. However, the relationship between these damage features and loading conditions, as well as the spatial interactions between melt pool structures and internal defects remains incompletely understood. By in situ time-lapse synchrotron X-ray tomography and diffraction, we identify the initiation and growth events of life-limiting damage under tensile, low cycle fatigue (LCF), and high cycle fatigue (HCF) loading. A novel transition from meso-structure insensitive, defect-dominated short fatigue crack propagation to a meso-structure sensitive mechanism occurs as the plastic zone expands of a growing crack. Under tension and LCF, the damage accumulation gradually increases and micro-voids nucleate at the melt pool boundaries (MPBs) after which the crack path follows the MPBs. In contrast, under HCF, surface defects initiate fatigue cracking and the MPBs have a very limited effect on the crack propagation path. Finally, physics-informed machine learning method is introduced to develop a novel methodology for predicting fatigue life by including three-dimensional features of defects in AM parts.

Compact multilayer selective absorbers based on amorphous carbon for solar-thermal conversion

In addressing the energy crisis and climate change, environmentally sustainable materials and structures with heightened absorption and enhanced photothermal conversion efficiency are urgently demanded. In this study, a series of ultrabroadband, omnidirectional, and near-perfect solar radiation absorbers based on amorphous carbon (a-C) were fabricated by magnetron sputtering. These absorbers, featuring 4, 6, and 8-layer compact multilayer thin film structures, exhibited measured absorption of 96.8 %, 96.5 %, and 96.6 % in the range of 300–2500 nm, respectively. The high absorption efficiency delves into the synergistic effects of intrinsic absorption of a-C and enhanced absorption through thin film interference. Through microstructure analysis, the reduced absorption compared to design originates from the optical thickness mismatch caused by the unstable growth rate of a-C. In addition, the absorbers show very slight variations in absorption within 40° and maintain a high absorption of more than 80 % in the incident angle of 60°. For samples with different air annealing temperatures from 100 to 250 °C, the microstructure, morphology, and optical properties were systematically investigated. The appearance of oxygen channels due to surface defects or voids leads to the oxidation reaction of the diffused Ti atoms at high temperature. Notably, the proposed absorber can be fabricated by a lithography-free method, paving a way for large-area application of a-C.

YOLO-EF: A lightweight YOLOv7 PCB defect detection algorithm

Abstract This study addresses the challenge of accurate PCB defect detection, considering the computational complexity and excessive model parameters associated with existing methods. To mitigate these issues, we propose an enhanced PCB surface defect detection method called YOLO-EF, which is built upon the YOLOv7 architecture. Firstly, we replace the backbone of YOLOv7 with the lightweight Efficient FormerV2 module. This replacement reduces both the model volume and computational requirements. Secondly, the dynamic head module is introduced to unify the target detection head and improve its performance. Finally, the Wise-IoUv3 function is used to suppress the influence of low-quality samples on the model performance. The experimental results show that the proposed model improves by 2.85% in mAP over the original model. Model computation is reduced from 106.5 GFLOPs to 44.3 GFLOPs. Our YOLO-EF model achieves an optimal balance in terms of precision, computational efficiency, and detection speed.

TiO2-hBN nanocomposite coating with excellent wear and corrosion resistance on Ti6Al4V alloy prepared by plasma electrolytic oxidation

Hexagonal boron nitride (hBN) is recognized for its promising application prospects in anti-friction and corrosion resistance due to its self-lubrication and excellent impermeability to gases and liquids. In this study, the TiO2-hBN nanocomposite coatings are prepared via the liquid plasma-assisted particle deposition sintering (LPDS) technology, enabling compact and uniform growth of hBN on the Ti6Al4V surface. Results indicate that the dense and stable plasma at the coating/electrolyte interface facilitates the deposition and sintering of hBN particles, effectively filling surface defects and achieving a coating density of 86.7 %. The friction coefficient of the TiO2-hBN nanocomposite coating significantly decreases from 0.54 (titanium alloy) to 0.28, remaining stable even after 2000 sliding cycles. Compared to the substrate, the wear rate (4.3 × 10−4 mm3N−1 m−1) of nanocomposite coating drops by 70.8 %, which is primarily attributed to the self-lubricating property of hBN, reducing the frictional shear stress. Moreover, the TiO2-hBN nanocomposite coating also has excellent corrosion resistance due to the hBN sheet filling internal defects and inhibiting the corrosion reaction. All these merits render the LPDS technology competitive in expanding the severe service conditions of titanium alloys in aerospace and marine engineering equipment.

Local electronic structure modulation via S substitution enables fast-discharging capability for Li-rich Mn-based oxides cathodes

Anionic and cationic redox reaction contribute to the ultrahigh specific capacities of Li-rich Mn-based oxides cathodes (LMNC). However, the irreversible oxygen evolution and sluggish kinetics result in the continuous capacity decay and poor rate performance, which limited its application as cathode material in lithium-ion batteries. Herein, the local electronic structure of LMNC is appropriately modulated via S2− doping to alleviate oxygen release, stabilize the crystal structure stability, and facilitate Li+ diffusion via facile surface defect engineering. The effect of S2− doping site on the systematically energy is investigated by DFT. Under the guidance of this result, LNMC-S is prepared by co-precipitation and high-temperature solid-phase reaction method. The effect of doping concentration on electrochemical property of LMNC was systematically investigated. The results exhibit that S2− doping can effectively suppress the electronic insulation of Li2MnO3, enhance the transport dynamics of lithium ion and inhibit the phase transition of LMNC sample during charge-discharge process. Thereby, the modified sample exhibits superior electrochemical property, such as the 200th discharge capacity is 184.3 mAh·g−1 under 1C, with a capacity retention rate of 87.6 %. This paper is beneficial for enriching the existing theoretical findings and discoveries, providing theoretical guidance for the preparation of high-performance material.