The preparation of smooth diamond surfaces containing few dislocations is essential for the cutting-edge applications such as semiconductor and quantum technologies, in which Ar/Cl plasma processing plays a critical role. However, its atomic-scale mechanism remains unclear, primarily due to the lack of suitable ReaxFF parameter sets and computational methods capable of approaching the realistic timescales. In the present study, C/H/Si/Cl and C/H/Ar ReaxFF parameter sets were optimized using GARFfield, which can be used to accurately describe complex interactions between Cl/Ar plasmas and diamond. A hybrid MD/tfMC method was employed to extend the simulation timescale, based on which the atomic-level details of Ar/Cl plasma etching were elucidated, and the etching rate (i.e., sputtering yield) was accurately predicted. Moreover, the effects of Ar/Cl plasma etching on dislocation evolution were further investigated. Compared with O- and H-based plasma etching, Arand Cl-based plasmas showed a reduced tendency to induce preferential etching at dislocation sites. This study provides a solid theoretical foundation for optimizing plasma processing of diamond, in order to fabricate highquality diamond semiconductor, quantum, and related devices. Additionally, the newly developed parameter sets and MD/tfMC method can also be applied to address analogous challenges, such as reactions involving Ar/Cl plasmas and other carbon-based materials.

Thermal uniformity governs both the growth kinetics and crystalline quality of diamond films in Hot Filament Chemical Vapor Deposition (HFCVD) and affects the subsequent post-processing efficiency. In this study, a high-fidelity transient model was established, implementing a fully coupled fluid-solid-thermal (FST) simulation framework. This approach integrates the Sliding Mesh method for dynamic motion, the Discrete Ordinates (DO) model for multi-filament radiation, and Conjugate Heat Transfer (CHT) to resolve the complex energy exchange during the deposition process. The simulations reveal that achieving a homogenized thermal field, specifically transforming localized “filament-induced hot stripes” into a uniform distribution, is essential for stable growth. This finding was experimentally validated via Chemical Mechanical Polishing (CMP) using diamond abrasives ranging from 1 to 10 μm. The post-polish surface condition confirms a direct correlation in which the regions with lower surface roughness consistently correspond to higher-temperature zones identified in the simulations. This demonstrates a strong correlation between the local thermal environment and the resulting film-thickness distribution, which is further confirmed by cross-sectional SEM measurements. A uniform thermal field during synthesis is a prerequisite for efficient processing. By ensuring consistent film thickness across the substrate, high thermal uniformity minimizes the material removal allowance required during polishing and mitigates localized stress concentrations. Consequently, this optimized growth mode leads to a substantially lower scrap rate and enhanced processing efficiency. These findings confirm the high accuracy of the coupled FST simulations and underscore that maintaining thermal uniformity is the prerequisite for the high-yield, cost-effective production of high-performance diamond heat sinks.

Coal is traditionally regarded as a primary energy resource for combustion. However, its high carbon content renders it an ideal precursor for the synthesis of carbon nanomaterials. The valorization of low-value coal into high-value nanocrystalline diamonds (NDs) offers a promising strategy. In this work, we developed a facile and rapid strategy for the synthesis of NDs from low-rank long-flame coal via silicon-mediated laser-induced shockwave high pressure within a water-confinement layer. The as-synthesized products show an average crystallite size of similar to 5 nm and exhibit features consistent with cubic diamond, including the (111), (220), and (311) reflections and similar to 0.20 nm lattice fringes with a similar to 70 degrees intersection angle. C 1s X-ray photoelectron spectroscopy indicates an enhanced sp3-bonded carbon contribution after laser shock treatment. Raman spectra of the coal/Si pellet surfaces demonstrate that the laser-induced coal-to-ND transformation is a kinetically controlled process. Molecular dynamics (MD) simulations reveal that the chemical reaction between coal-derived carbon and active Si additives may locally provide an additional chemical driving force, which promotes C-C bond activation and accelerates the formation of sp3-like, diamond-like structural motifs. These findings provide a sustainable route for the synthesis of NDs from abundant and inexpensive coal, advancing the clean and high-value-added utilization of coal resources.

Current deposition processes on high-entropy alloy (HEA) film would inevitably remain the rough peaks on the superficial surface, generating some potential risks when subjected to the thermal shock or radiation. To break the limitation of traditional finishing processes, an efficient finishing strategy was timely proposed, entitled abrasive flow machining (AFM) process, to eliminate above humps and peaks and improve the surface quality. When observing the initial film topography, the excessively deposited HEA atoms generated the humps on the film top surface, apparently leading to the inevitable rough profile. While, benefiting from the unique elasticity and viscous flow nature, the abrasive media presented desired machinability on the initially-smooth film surface and successfully subdued the convex peaks to a rather lower value. To deeply probe the excellent finishing effect, the micro structure of polymer melt and abrasive media were observed to exhibit the pseudo-network structure and tight combination state. The apparent rheological properties were subsequently measured to characterize the media viscoelasticity and describe the unique conversion effect. Considering the continuous grain collision with rough profile, the finishing mechanism on HEA film was systematically elucidated as the direct fracture or yield deformation accumulation on the convex peaks. Subsequently, to quantitatively illustrate the squeeze and driven effect during the finishing effect, the mechanics models were built from the media perspective and verified by comparing the theoretical and the measured values of film yield strength by comprehensively integrating the rheological properties and the melt-grain interaction in the flow field. The thickness reduction rate and the general energy consumption involved in the finishing process by rigid grains was discussed to exhibit and demonstrate the efficient characterization on HEA film surface with initially smooth state. Overall, the present work provides the efficient finishing strategy on the HEA film or other coatings to further improve its surface quality.

Coal is traditionally regarded as a primary energy resource for combustion. However, its high carbon content renders it an ideal precursor for the synthesis of carbon nanomaterials. The valorization of low-value coal into high-value nanocrystalline diamonds (NDs) offers a promising strategy. In this work, we developed a facile and rapid strategy for the synthesis of NDs from low-rank long-flame coal via silicon-mediated laser-induced shockwave high pressure within a water-confinement layer. The as-synthesized products show an average crystallite size of ∼5 nm and exhibit features consistent with cubic diamond, including the (111), (220), and (311) reflections and ∼0.20 nm lattice fringes with a ∼70° intersection angle. C 1s X-ray photoelectron spectroscopy indicates an enhanced sp3-bonded carbon contribution after laser shock treatment. Raman spectra of the coal/Si pellet surfaces demonstrate that the laser-induced coal-to-ND transformation is a kinetically controlled process. Molecular dynamics (MD) simulations reveal that the chemical reaction between coal-derived carbon and active Si additives may locally provide an additional chemical driving force, which promotes C-C bond activation and accelerates the formation of sp3-like, diamond-like structural motifs. These findings provide a sustainable route for the synthesis of NDs from abundant and inexpensive coal, advancing the clean and high-value-added utilization of coal resources.

K-doped ammonium vanadate (K-doped NH4V4O10) nanoribbons are synthesized in situ on carbon cloth using a simple hydrothermal method. This approach creates continuous conductive pathways in a three-dimensional conductive substrate while ensuring sufficient contact between active materials and the electrolyte for optimal utilization. Potassium incorporation preserves the structural advantages of ammonium ions, increases the number of active sites, and introduces oxygen vacancies, leading to improved reversible capacity. The synthesized K-doped NH4V4O10/carbon cloth (K-NVO-1/CC) exhibits a high charge/discharge capacity of 91.5/92.0 mAh g- 1 after 100 cycles, with a 94.6% capacity retention at 50 mA g- 1. It maintains 85.0/85.7 mAh g- 1 after 1000 cycles at 200 mA g- 1. Additionally, the flexible pouch-type potassium-ion battery, featuring the K-NVO-1/ CC cathode, shows a stable reversible capacity of 40.5 mA h g- 1 after 500 cycles, indicating K-NVO-1/CC as a promising cathode for next-generation potassium-ion batteries, especially in flexible devices.

Dislocation defects are inevitable in both natural and synthesized diamond, posing critical challenges for diamond-based quantum devices and high-power semiconductors. Once formed, they are challenging to eliminate and tend to evolve during processing, negatively affecting or degrading material performance. Therefore, a deep understanding of the structural evolution of dislocations caused by processing is crucial. This study combines ReaxFF-based molecular dynamics simulations and experimental validation to investigate the material removal and dislocation structure evolution during the processing of dislocation regions in diamond devices via chemical mechanical polishing (CMP), one of the most commonly used high-precision processing techniques. The results indicate that during processing, amorphous atoms first emerge on the crystal surface and then gradually propagate along the dislocation sites. Compared to dislocation-free crystals, diamond with initial dislocation defects generates more amorphous atoms near the dislocation regions. Additionally, higher polishing pressure increases the number of amorphous atoms and causes them to concentrate along the dislocation lines. This study provides critical insights into the impact of initial dislocation defects on subsequent processing quality and subsurface damage. Moreover, the findings offer theoretical support and guidance for high-fidelity diamond processing at the atomic level, which is essential for next-generation quantum technologies and ultra-wide bandgap electronics.

All inorganic lead-free halide double perovskite has great potential for high-efficient photocatalyst with the merit of low toxicity. Herein, double perovskite Cs2NaBiCl6 was designed as a photocatalyst for Malachite green degradation. Cs2NaBiCl6 was synthesized by a simple hydrochloric acid precipitation, and further employed to degrade organic dyes under ultraviolet light. The synthesized Cs2NaBiCl6 shows an excellent photocatalytic performance with a degradation efficiency of 99.7 % for malachite green (15 mg/L) in 25 min. Moreover, Cs2NaBiCl6 also exhibits good recyclability and stability. Further experiments confirm that superoxide radicals play a primary role in the photocatalytic degradation process. Our results prove that Cs2NaBiCl6 is a promising cost-effective and high-efficiency photocatalysts to degrade organic pollutants.

Grinding marks on as-ground surfaces of transmission gears, especially those in electrical vehicles, have significantly adverse effects on their NVH (noise, vibration and harshness) features. However, traditional processes cannot effectively and efficiently remove them. The abrasive flow machining (AFM) has potential to achieve the goal, but effects of the critical machining parameters on grinding marks of different directions should be firstly clarified. In the present study, some flat samples with the grinding marks of different directions (0 degrees, 30 degrees, 45 degrees, 60 degrees, and 90 degrees) are prepared, which are then submitted to the AFM process, using SiC abrasive particles of elaborately-selected diameters (60, 380, 560 mu m). It is concluded that the effective removal of grinding marks is not perfectly correlated with the reduction of the particle diameter. The best machining effect can be obtained by using the machining angle of 45 degrees and the particle diameter of 560 mu m. The machining mechanism is further discussed, combining machining results and Fourier transform analysis. It is suggested that abrasive fluctuation, i.e., the "flexible" cutting on the workpiece surface, dominates the complicated effects of the machining angle and particle diameter on the final machining effects, especially when the indentation width is apparently smaller than the maximum length period of the workpiece surface profile. This study will provide theoretical foundations for the design of the fixtures and abrasives for machining transmission gears in electrical vehicles.

A porous KVPO 4 F/reduced graphene oxide (KVPF/rGO) microgrid aerogel electrode is designed and fabricated using direct ink writing 3D printing for high‐performance potassium‐ion battery cathodes. This 3D‐printed KVPF/rGO aerogel electrode, which integrates well‐dispersed KVPO 4 F microspheres in the reduced graphene oxide matrix, shows enhanced structural integrity and electrical conductivity, thereby facilitating efficient ion and electron transport. The KVPF/rGO electrode achieves a reversible discharge capacity of 99.0 mAh g −1 at a current density of 50 mA g −1 in the voltage range between 2.0 and 5.0 V. It retains 93.9% of its capacity after 100 cycles and delivers a discharge capacity of 72.6 mAh g −1 at a high current density of 500 mA g −1 , demonstrating good rate capability. The role of rGO in improving charge transfer and minimizing polarization is demonstrated. The flexibility of the 3D‐printed electrodes is validated by fabricating soft‐pack batteries, which maintain stable performance under mechanical stress, an essential requirement for wearable electronics. The results highlight the large potential of 3D printing technology to enhance the properties and flexibility of potassium‐ion batteries and pave the way for future advancements in energy storage devices.

A porous KVPO4F/reduced graphene oxide (KVPF/rGO) microgrid aerogel electrode is designed and fabricated using direct ink writing 3D printing for high-performance potassium-ion battery cathodes. This 3D-printed KVPF/rGO aerogel electrode, which integrates well-dispersed KVPO4F microspheres in the reduced graphene oxide matrix, shows enhanced structural integrity and electrical conductivity, thereby facilitating efficient ion and electron transport. The KVPF/rGO electrode achieves a reversible discharge capacity of 99.0 mAh g-1 at a current density of 50 mA g-1 in the voltage range between 2.0 and 5.0 V. It retains 93.9% of its capacity after 100 cycles and delivers a discharge capacity of 72.6 mAh g-1 at a high current density of 500 mA g-1, demonstrating good rate capability. The role of rGO in improving charge transfer and minimizing polarization is demonstrated. The flexibility of the 3D-printed electrodes is validated by fabricating soft-pack batteries, which maintain stable performance under mechanical stress, an essential requirement for wearable electronics. The results highlight the large potential of 3D printing technology to enhance the properties and flexibility of potassium-ion batteries and pave the way for future advancements in energy storage devices.

Sodium metal, featuring low redox potential (−2.714 V vs SHE), high theoretical capacity (1166 mAh g−1), and natural feasibility, is recognized as the ideal anode for sodium-metal batteries (SMBs). Nevertheless, detrimental sodium dendrite and unstable solid electrolyte interphase (SEI) still fetter the practical applications of SMBs. Herein, Cu-MOF (HUKST-1)@Zein nanofiber-modified polypropylene (PZH) separators are developed to tackle these problems. The rich sodiophilic functional groups and intrinsic nanochannels within Zein and MOF frameworks expectedly enable a remarkable Na ion transference number of 0.78, a robust SEI, and dendrite-free SMBs as verified by in situ characterizations and theoretical simulations. Consequently, NaǁNa cells with the PZH separator could stably cycle over 2000 h at 4 mA cm−2/20 mAh cm−2. Moreover, Na3V2(PO4)3@CǁNa full cells with the PZH separator retain a high capacity of 83.1 mAh g−1 over 1500 cycles with a low fading rate of ∼0.0089% per cycle, confirming the practical employment of PZH separators in SMBs.

The uncontrollable growth of zinc dendrites and severe side reactions on zinc electrodes significantly reduces the cycle life of aqueous zinc ion batteries, thereby hindering their commercial application. In this paper, we demonstrate that the polydentate chelation of zinc ions by carbon dots is an effective way to address these issues. Functionalized carbon dots with polydentate ligands were synthesized and used as electrolyte additives for aqueous zinc ion batteries. The strong chelation effect of the functionalized carbon dots with zinc ions improves the solvation structure of zinc ions in the electrolyte, promotes the uniform deposition of zinc ions, and thus significantly inhibits the formation of dendrites and side reactions on zinc anodes. Based on ZnSO4 electrolyte with the functionalized carbon dots, both Zn||Zn symmetric cells and Zn//MnO2 full cells exhibited excellent cycling stability. Specifically, the Zn||Zn symmetrical cells stably cycled for 6400 h with a low polarization voltage of 0.05 V. The Zn//MnO2 full cells still maintained 81.4 % of their initial capacity after 2000 cycles at a current density of 3 A g- 1. Furthermore, the addition of the functionalized carbon dots significantly enhances the rate performance of the batteries.

The severe hazards posed by H2S gas, including brain/respiratory damage, poisoning risks, and environmental pollution issues, have posed an urgent need for developing efficient, real-time flexible room-temperature gas sensors. Here, we loaded CuO-ZnO onto carbon nanotube (CNT) films through a solvothermal method to form a multilevel CNT-CuO-ZnO film, which retained the two-dimensional network of CNTs and the crystal structure of metal oxide particles. CuO and ZnO nanoparticles were wrapped around the surface of CNT bundles, in contact with each other, agglomerated into nanoclusters, and were connected in series on CNTs to form a rough surface coaxial bundle. The response to 300 ppb H2S was 50%, which was higher than that of the pure CNT film (4.7%), and after bending, the response to H2S remained almost unchanged (96.8%). The measured limit of detection of the CNT-CuO-ZnO film was 20 ppb (2%).

During the milling of ceramic-filled printed circuit boards (PCBs) for 5G communications, diamond-coated cemented carbide tools fabricated using conventional hot filament chemical vapor deposition (HFCVD) processes frequently experience premature fracture due to insufficient fracture toughness, thereby impeding the full utilization of the exceptional wear resistance of diamond coatings. This study proposes a novel approach aimed at enhancing the toughness of the cemented carbide by minimizing cobalt removal, while simultaneously employing a low-temperature-dominant HFCVD composite diamond coating deposition process to mitigate excessive cobalt diffusion resulting from increased cobalt content in the substrate, thereby ensuring the high-quality diamond growth. The specific design of the composite process parameters is guided by a coupling model that establishes the relationship between the performance characteristics of coated tools (diamond quality, tool toughness, and film-substrate adhesion strength), the inherent cobalt distribution within coated tools, and critical preparation parameters (substrate temperature Ts, cobalt removal depth D, grain size of diamond coatings G, and coating thickness h). A three-step diamond deposition process is developed, with the initial two steps utilizing low-temperature deposition, to balance and optimize the performance characteristics of the substrate, interface, and coating within the coated tools. The resulting coated milling cutter demonstrates excellent performance when applied to the machining of 5G-PCB materials. It resolves the issue of premature tool fracture, exhibits superior film-substrate adhesion strength and wear resistance, and has a service life approximately eight times longer than uncoated milling cutters and three times longer than tools produced using a single deposition process.

Sodium metal anode holds great potential for high energy density sodium batteries. However, its practical utilization is impeded by significant volume change and uncontrolled dendrite growth. To tackle these issues, a three‐dimensional (3D) hierarchical porous sodiophilic reduced graphene oxide/diamane (rGO/diamane) microlattice aerogel is constructed by a direct ink writing (DIW) 3D printing (3DP) method. The molten Na is diffused into the rGO/diamane host to form Na@rGO/diamane anode, which can deliver an ultra‐high capacity of 78.60 mAh cm −2 (1090.94 mAh g −1 ). Benefiting from uniform ion distribution and homogeneously distributed sodiophilic diamane enabled dendrite‐free deposition morphology, the Na@rGO/diamane anodes exhibit a long cycle‐life of over 7200 h at 1 mA cm −2 with 1 mAh cm −2 . Furthermore, the Na@rGO/diamane anode also enhances the long‐term stability at an elevated operation temperature of 60 °C, sustaining a prolonged lifespan of 400 h at 1 mA cm −2 with 1 mAh cm −2 . Notably, when integrated with the Na 3 V 2 (PO 4 ) 3 @carbon (NVP@C) cathode and Na@rGO/diamane anode, the full cell delivers sustained longevity, maintaining a lifespan of over 2000 cycles with a capacity retention rate of 95.72%. This work sheds new insights into the application of diamane for the development of stable and high‐performance sodium metal batteries.

Lithium metal anodes are highly promising for next-generation high-energy-density batteries due to their ultrahigh theoretical capacity and low electrochemical potential. However, their practical application is hindered by issues such as lithium dendrite growth and poor cyclability. Herein, a vertically aligned 1T-PtSe2 film on carbon cloth (PtSe2-CC) is designed to promote uniform Li plating via an in situ-formed Li2Pt/Li2Se interphase. Indeed, in situ transmission electron microscopy studies and ab initio molecular dynamics simulations elucidate the electrochemical reaction mechanism between PtSe2 nanostructures and Li metal, revealing the formation of Li2Pt and Li2Se phases that serve as effective nucleation sites for lithium. These sites facilitate a homogeneous Li+ flux, thereby significantly enhancing electrochemical performance. The PtSe2-CC electrode achieves ultralow nucleation overpotential (11.0 mV at 5 mA cm−2), stable cycling lifetime (>400 h at 5 mA cm−2, 5 mAh cm−2), and a high Coulombic efficiency (99.7% over 200 cycles), offering a promising strategy for dendrite-free Li metal batteries.

Owing to the restriction of micro dimension size and multiple holes, traditional finishing processes exhibits inevitable finishing limitations, hence abrasive flow machining is employed to break above limitations relying on the unique viscoelasticity and excellent fluidity of abrasive media. However, as the primary requirement of media is the material removal, there must be a limitation size when the micro hole reducing to a critical value since the rigid grains should be added and must hold an apparent dimension. In present paper, the structures and rheology of media are systematically investigated to subsequently elaborate the finishing mechanism on micro-hole structures. Furthermore, based on the pseudo-network structure and elasticity of media, as well as the interaction between continuous matrix with discrete grains, this work theoretically established the mechanics model on single grain and the total material removal model to discussed the variation tendency of material loss volume along with the key parameters (storage modulus, inlet pressure, non-Newtonian index and grain fraction), primarily detecting the theoretical size limitation (around 5 μm). Moreover, further considering the influence of thermal accumulation and grain abrasion on the properties and final effect of media under long finishing duration state, the failure mechanism of abrasive media was investigated and concluded as the deterioration of rheological properties, violent abrasion of grain, and rather low mechanical performance gap between rigid grains with target surface. This work could give a guidance on the determination of adaptable size range and longevity of abrasive media when finishing the micro-hole structures.

The notorious growth of sodium dendrites and significant volume fluctuations have posed substantial challenges to the practical application of sodium metal anodes. In this work, an aerogel composed of MgF2 nanoparticles (NPs) onto a three-dimensional (3D) printed reduced graphene oxide (rGO) (MgF2/rGO) monolith was employed as a scaffold for sodium metal anodes. During the initial discharge process, the MgF2 NPs underwent an electrochemical in-situ conversion into NaF and sodiophilic Mg NPs, which act as the Na metal nucleation centers and contribute to the formation of a stable solid electrolyte interface (SEI) layer. Benefiting from these synergistic effects, the 3D printed MgF2/rGO electrode exhibits a high Coulombic efficiency of 99.49% after 1200 cycles at 0.5 mAcm-2 with 1 mAhcm-2. It also shows a long cycle lifespan of 2500 h with a high capacity of 10 mAhcm-2 at 5 mAcm-2. Moreover, when assembled into a full cell with a Na@MgF2/rGO anode and a Na3V2(PO4)3@C-rGO cathode, the cell delivers an extended cycle life of 3500 cycles at 1 C, preserving a reversible capacity of 86.98 mAhg-1. This work paves the way for utilization of 3D printed metal-fluorides to enhance the electrochemical performance of the sodium metal anodes.

Recent research on supercapacitors (SCs) has been attractive due to the potential application in a variety of fields related to energy storage. Electrode materials play a very important role for the performance of SCs and various metal nanoparticles are involved in the SC electrodes. In this paper, the roles of metal nanoparticles for SCs are reviewed and discussed. They can serve as a dopant to modify the surface of electrode materials, or be embedded in a composite to effectively reduce the resistance and lead to an enhanced specific capacitance. Some metal nanoparticles can be also employed as electrode materials directly, but easily being oxidized. Metallic nanoparticles can even act as current collectors, especially for these noble metals with excellent stability and high conductivity. Nanoporous metals prepared by dealloying and electrochemical method can be used as both pseudocapacitive materials and current collector of SCs. Some important experimental data on this issue are summarized. A brief discussion on the future directions, challenges and opportunities in this topic is also provided.