3D Carbon Structures Research Articles

3D Graphene-like Carbon Structures from Poly(Acrylic Acid): A Novel Synthetic Route.

Emerging contaminants, such as the hormone 17α-ethynylestradiol (EE), in aquatic environments pose a serious risk to both human and environmental health, making efficient removal essential. This study evaluated the effectiveness of three-dimensional porous carbon structures derived from poly(acrylic acid) (PAAc, Carbopol 990) as adsorbents for removing EE from aqueous solutions. Activated carbon materials were prepared using varying ratios of KOH as an activating agent (PAAc:KOH; 1:0 AAC, 1:1 AC1, 1:2 AC2, and 1:3 AC3). Adsorption tests were conducted by adding 10 mg of the adsorbent to 40 mL of an EE solution (100 ppm, 20% acetonitrile in water). Analyses including TGA, XRD, and Raman spectroscopy were performed to evaluate the materials' structural properties and adsorption capacities. Among the materials, AC3 exhibited the highest adsorption capacity for EE (238 mg g-1), followed by AC2 (153 mg g-1) and AC1 (82 mg g-1). The superior efficiency of AC3 can be attributed to its larger surface area and pore volume, enabling greater interaction with EE molecules. These materials demonstrated higher adsorption capacities compared to commercial activated carbons and single-walled carbon nanotubes. This work opens new possibilities for developing efficient adsorbents, contributing to more effective and sustainable solutions for water purification and environmental protection.

Opportunities at the Intersection of 3D Printed Polymers and Pyrolysis for the Microfabrication of Carbon-Based Energy Materials.

In an era marked by a growing demand for sustainable and high-performance materials, the convergence of additive manufacturing (AM), also known as 3D printing, and the thermal treatment, or pyrolysis, of polymers to form high surface area hierarchically structured carbon materials stands poised to catalyze transformative advancements across a spectrum of electrification and energy storage applications. Designing 3D printed polymers using low-cost resins specifically for conversion to high performance carbon structures via post-printing thermal treatments overcomes the challenges of 3D printing pure carbon directly due to the inability of pure carbon to be polymerized, melted, or sintered under ambient conditions. In this perspective, we outline the current state of AM methods that have been used in combination with pyrolysis to generate 3D carbon structures and highlight promising systems to explore further. As part of this endeavor, we discuss the effects of 3D printed polymer chemistry composition, additives, and pyrolysis conditions on resulting 3D pyrolytic carbon properties. Furthermore, we demonstrate the viability of combining continuous liquid interface production (CLIP) vat photopolymerization with pyrolysis as a promising avenue for producing 3D pyrolytic carbon lattice structures with 15 μm feature resolution, paving way for 3D carbon-based sustainable energy applications.

Hydrogen storage in Ti doped 4-6-8 biphenylene (Ti.C468): Insights from density functional theory

Hydrogen storage exploration in carbon-based materials is pivotal for advancing energy technologies. This study employs first-principles Density Functional Theory (DFT) calculations, utilizing the PBE functional with the VASP code, to investigate the 4-6-8 biphenylene (C468) and its derivatives, a distinctive 2D carbon structure. Both pristine C468 and its titanium-decorated variants (1TiC468 and 2TiC468) are analyzed. 1TiC468 and 2TiC468 exhibit maximum hydrogen molecule accommodation of up to 12 and 24, achieving gravimetric densities of 6.713 wt% and 11.188 wt%, respectively, with adsorption energies ranging from −0.132 eV/H2 to −0.399 eV/H2. These gravimetric values align with or surpass DOE guidelines. Additionally, comparative analysis indicates enhanced hydrogen adsorption due to Ti presence in C468. Molecular dynamics (MD) and phonon dispersion studies confirm the stability of mTiC468 (m = 1 and 2) systems at 300K. These findings underscore the potential of Ti-decorated C468 as hydrogen storage candidates, expanding the applications of carbon-based materials in energy storage.

Universal Carbonizable Filaments for 3D Printing

AbstractCarbon additive manufacturing emerges as a powerful technique for crafting tunable 3D carbon architectures, employing multiscale arrangement and topological design for mechanical and functional applications. However, the potential of 3D carbon fabrication is constrained when utilizing state‐of‐the‐art feedstock and manufacturing routes. To address these limitations, a 3D carbon fabrication strategy is developed named carbonizable filament technology (CAFIT). In CAFIT, the evolution of high‐loaded carbon composite filaments broadens the capabilities of straightforward 3D printing technology by ensuring structural stability for subsequent post‐carbonization to achieve scalable and engineered 3D carbon structures. This strategy has strengths regarding 1) simplicity, 2) applicability to a variety of carbon materials, and 3) creating nearly replicated 3D carbon structures with multiscale features. The fundamental mechanisms governing the processability of the universal filament and structural change of carbon particles throughout the process using carbon nanotubes as an example are explored. Moreover, through simulation and demonstration, the adaptability of CAFIT is illustrated by utilizing a wide range of carbon materials, including low‐dimensional nano/micro carbons (carbon blacks, carbon nanotubes, and graphenes), as well as carbon fibers, to fabricate 3D architected carbon structures.

Tribological and mechanical characterization of carbon-nanostructures based PEEK nanocomposites under extreme conditions for advanced bearings: A molecular dynamics study

Polyetheretherketone (PEEK) carbon nanomaterial-based nanocomposites, incorporating zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) carbon structures have gained prominence as advanced materials with the potential to enhance tribological properties paving the way for a new era in the development of advanced bearings for high-performance machinery applications. This study delves into the forefront of friction and wear analysis, employing all atom molecular dynamics (aa-MD) simulations to engineer PEEK polymer nanocomposites with precision under elevated temperature and higher velocity. The research presents optimization of mechanical strength and tribological properties crucial to meet the demanding requirements of industrial machinery. The addition of C60 fullerenes reduced COF by 16.59% and wear rates by 6.52% due to its spherical shape and lubrication effects. Introduction of carbon-nanotubes further decreased COF by 54.54% and wear rates by 32.5%, offering resistance to abrasive and adhesive wear. S-graphene showed notable performance, reducing COF by 69.40% and wear rates by 75.03%, making it promising for sliding and wear applications. Carbon-nanocones reduced COF by 60.6% and wear rates by 72.06%, slightly higher than S-Gr due to abrasive effects and increased surface contact. These findings underscore the potential of reinforcement dimensionality in enhancing the tribological properties of PEEK based nanocomposites.

Prediction of highly stable 2D carbon allotropes based on azulenoid kekulene

Despite enormous interest in two-dimensional (2D) carbon allotropes, discovering stable 2D carbon structures with practically useful electronic properties presents a significant challenge. Computational modeling in this work shows that fusing azulene-derived macrocycles – azulenoid kekulenes (AK) – into graphene leads to the most stable 2D carbon allotropes reported to date, excluding graphene. Density functional theory predicts that placing the AK units in appropriate relative positions in the graphene lattice opens the 0.54 eV electronic bandgap and leads to the appearance of the remarkable 0.80 eV secondary gap between conduction bands – a feature that is rare in 2D carbon allotropes but is known to enhance light absorption and emission in 3D semiconductors. Among porous AK structures, one material stands out as a stable narrow-multigap (0.36 and 0.56 eV) semiconductor with light charge carriers (me = 0.17 m0, mh = 0.19 m0), whereas its boron nitride analog is a wide-multigap (1.51 and 0.82 eV) semiconductor with light carriers (me = 0.39 m0, mh = 0.32 m0). The multigap engineering strategy proposed here can be applied to other carbon nanostructures creating novel 2D materials for electronic and optoelectronic applications.

The Porous Structure Design of Catalyst Layer by Controlling Particle Size Distribution of PEMFC Catalyst Ink

A general catalyst ink of proton exchange membrane fuel cells(PEMFC) consists of a catalyst, its support, an ionomer, and a solvent. These elements are made in the form of membrane electrode assembly(MEA) through grinding, dispersing, and coating processes. Therefore, the preparation of catalyst ink is an important step that directly affects the structure formation of the catalyst layer and the cell performance. In this study, by controlling the particle size distribution of the catalyst ink, we aim to achieve optimized pore structure in the catalyst layer that leads to improved performance of the fuel cell. Particle size and its distribution of the catalyst ink were confirmed by using particle size analyzer(PSA). Mercury intrusion porosimetry(MIP) was used to determine porous structure, including the pore diameter and total pore volume of MEA. Segmented tomographic evaluation is utilized to evaluate the 3D porous carbon structure in terms of local surface area, pore size distribution, and their 3D networking. MEA were tested to ascertain the influence of the catalyst ink properties on electrochemical character such as H2/air polarization curves, electrochemical impedance spectroscopy(EIS). Also, to analyze the resistance contributed by the molecular and Knudsen diffusion and permeation through the ionomer film, we tested MEA using limiting-current measurements. As a result, We are able to confirm that the particle size has a high correlation with the pore characteristics of the electrode layer that affect the cell performance. The enhanced electrochemical performance is attributed by decreasing fine particles about 0.1um in size. We figured out that the gas diffusion resistance in the catalyst layer increases as the fine particles increase. The results of this study will provide important insights into the design and fabrication of the catalyst layers in PEMFCs and could potentially lead to improvements in the efficiency of fuel cells.

Single-Atom Mn Catalysts via Integration with Mn Sub Nano-Clusters Synergistically Enhance Oxygen Reduction Reaction.

Integrating single atoms and clusters into one system represents a novel strategy for achieving the desired catalytic performance. In comparison to single-atom catalysts, catalysts combining single atoms and clusters harness the advantages of both, thus displaying greater potential. Nevertheless, constructing single-atom-cluster systems remains challenging, and the fundamental mechanism for enhancing catalytic activity remains elusive. In this study, a directly confined preparation of a 3D hollow sea urchin-like carbon structure (MnSA/MnAC-SSCNR) is developed. Mn single atoms synergistically interact with Mn clusters, optimizing and reducing energy barriers in the reaction pathway, thus enhancing reaction kinetics. Consequently, in contrast to Mn single-atom catalysts (MnSA-SSCNR), MnSA/MnAC-SSCNR exhibits significantly improved oxygen reduction activity, with a half-wave potential (E1/2) of 0.90V in 0.1m KOH, surpassing that of MnSA-SSCNR and Pt/C. This work demonstrates a strategy of remote synergy between heterogeneous single atoms and clusters, which not only contributes to electrocatalytic reactions but also holds potential for reactions involving more complex products.

Hyphae Carbon Coupled with Gel Composite Assembly for Construction of Advanced Carbon/Sulfur Cathodes for Lithium-Sulfur Batteries.

The design and fabrication of novel carbon hosts with high conductivity, accelerated electrochemical catalytic activities, and superior physical/chemical confinement on sulfur and its reaction intermediates polysulfides are essential for the construction of high-performance C/S cathodes for lithium-sulfur batteries (LSBs). In this work, a novel biofermentation coupled gel composite assembly technology is developed to prepare cross-linked carbon composite hosts consisting of conductive Rhizopus hyphae carbon fiber (RHCF) skeleton and lamellar sodium alginate carbon (SAC) uniformly implanted with polarized nanoparticles (V2O3, Ag, Co, etc.) with diameters of several nanometers. Impressively, the RHCF/SAC/V2O3 composites exhibit enhanced physical/chemical adsorption of polysulfides due to the synergistic effect between hierarchical pore structures, heteroatoms (N, P) doping, and polar V2O3 generation. Additionally, the catalytic conversion kinetics of cathodes are effectively improved by regulating the 3D carbon structure and optimizing the V2O3 catalyst. Consequently, the LSBs assembled with RHCF/SAC/V2O3-S cathode show exceptional cycle stability (capacity retention rate of 94.0% after 200 cycles at 0.1 C) and excellent rate performance (specific capacity of 578mA h g-1 at 5 C). This work opens a new door for the fabrication of hyphae carbon composites via fermentation for electrochemical energy storage.

Simple and Scalable Green Approach for Synthesizing Hierarchically Porous Hexagonal Shaped 3D Carbon Structure for Sodium‐ion Storage

AbstractBoth scientific and technological circles are gaining interest in the sustainable and scalable conversion of biomass waste into electrical energy storage systems. Three‐dimensional hierarchical hexagonal porous carbon was synthesized from Ailanthus Triphysa sawdust for the first time. A two‐step carbonization process results in etching of the carbon structure caused by ZnCl2 activation and tailoring pores over the carbon structure caused by gasification. The ZnCl2 acts as an activating agent, a template and a facilitator of the activation process, and its concentration regulates the porosity as well as specific surface area of the carbon nanostructures. There are two distinct types of pores in the prepared carbon i. e.mesopores and micropores. The highest specific surface area of 1757.80 m2/g was obtained when the ratio of ZnCl2 is four times higher than that of the sample. The resulting carbon is used as an electrode in an electrochemical supercapacitor which gives a specific capacitance of 92.24 F/g at 5 mV/s and a cyclic stability of 3000 with a retention of 98 %. The highly porous activated carbon exhibits excellent electrochemical storage properties in an aqueous neutral electrolyte of 0.1 M Na2SO4. A redox‐enhanced electrolyte like 0.1 M Na2SO4 with 0.03 M KI combination improvise the specific capacitance and cyclic stability. The specific capacitance of the redox‐enhanced electrolyte combination increases to 104 F/g at 5 mV/s and cyclic stability of 50000 with a retention of 95 % during continuous charge‐discharge cycles. This work brings forth a simple and green approach to transforming biomass waste into a scalable and economic high‐performance supercapacitor.

Impact of Morphological Dimensions in Carbon‐Based Interlayers on Lithium Metal Anode Stabilization

AbstractLithium metal batteries (LMBs) offer high energy density and promise as a future technology. Yet, their adoption is hindered by safety concerns and cycle life stability, arising from Li dendrite formation, solid electrolyte interphase instability, and volume changes during cycling. In response to these challenges, carbon‐based materials have been utilized as an artificial interface layer for modifying the surface of copper current collector in LMBs. Among the diverse carbon‐based materials, 0D carbon, with its high specific surface area, is advantageous for enhancing Li ion transport rates and ensuring uniform current distribution. 1D carbon structures foster a network that facilitates Li ion diffusion, while 2D carbon establishes a protective layer, mitigating side reactions. 3D carbon structures promote Li deposition within their internal cavities, effectively controlling volume fluctuations. With this understanding, this review delves into the latest advancements in carbon‐based materials for modifying copper current collectors. It offers a detailed exploration of how each dimension of carbon‐based materials contributes to regulating Li deposition. Furthermore, the ongoing challenges and potential avenues in the development of carbon‐modified copper current collectors for LMBs are spotlighted, aiming to provide insightful guidance for the design of anode‐free Li metal batteries.

High-temperature adaptive through-silicon via with pyrolyzed carbon via-sealing plates for packaging 3D carbon nanostructure-based devices fabricated using C-MEMS

Through-silicon via (TSV) is a key packaging technology that facilitates the 2.5D/3D integration of microelectromechanical system (MEMS) devices. Among various MEMS technologies, C-MEMS enables micro/nanoscale 3D carbon structure manufacturing using high-temperature (600–1200 °C) pyrolysis. These high-temperature conditions limit the application of conventional TSV technologies to C-MEMS devices. This study presents a novel TSV with carbon via-sealing plates that are adaptable to C-MEMS device packaging. Via holes are drilled before integrating the MEMS device to protect the delicate micro/nanoscale structures. Moreover, the topside via inlet is sealed with a thin conductive pyrolyzed carbon plate to prevent the contamination of the via interior during the C-MEMS process and ensure an electrical connection between the devices and the vias. After integrating the C-MEMS devices, TSV fabrication is completed by coating the via inside with a metal layer from the wafer's bottom side, achieving a conductance per unit area of approximately 327 S/mm2 (via diameter = 33 μm, length = 100 μm). The applicability of the proposed wafer-level TSV technology to C-MEMS devices is then verified through the implementation of a suspended carbon nanowire-based gas sensor integrated with the developed TSV, which exhibits excellent signal transmission. Furthermore, the proposed TSV packaging technology can be applied to various micro/nanofabrication technologies because of its high-temperature/wet-process compatibility and cost-effective fabrication.

Review of the development of graphene and application in photocatalyst

Graphene was originally found as a thin sheet structure. Researchers have expanded their studies to include this 2D carbon structure in recent years. The paper aims to give a review of the development of graphene and its application in photocatalysts based on existing research literature and data. The result shows that, currently, graphene-based nanomaterials for medical applications are a popular research topic. In this paper, the structure, characteristics, synthesis and surface modification of graphene is classified into covalent and non-covalent approaches.

Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation.

Recent advancements have led to the synthesis of novel monolayer 2D carbon structures, namely quasi-hexagonal-phase fullerene (qHPC60) and quasi-tetragonal-phase fullerene (qTPC60). Particularly, qHPC60 exhibits a promising medium band gap of approximately 1.6 eV, making it an attractive candidate for semiconductor devices. In this study, we conducted comprehensive molecular dynamics simulations to investigate the mechanical stability of 2D fullerene when placed on a graphene substrate and encapsulated within it. Graphene, renowned for its exceptional tensile strength, was chosen as the substrate and encapsulation material. We compared the mechanical behaviors of qHPC60 and qTPC60, examined the influence of cracks on their mechanical properties, and analyzed the internal stress experienced during and after fracture. Our findings reveal that the mechanical reliability of 2D fullerene can be significantly improved by encapsulating it with graphene, particularly strengthening the cracked regions. The estimated elastic modulus increased from 191.6 (qHPC60) and 134.7 GPa (qTPC60) to 531.4 and 504.1 GPa, respectively. Moreover, we observed that defects on the C60 layer had a negligible impact on the deterioration of the mechanical properties. This research provides valuable insights into enhancing the mechanical properties of 2D fullerene through graphene substrates or encapsulation, thereby holding promising implications for future applications.

Contributions of Light to Novel Logic Concepts Using Optoelectronic Materials.

Instead of the current method of transmitting voltage or current signals in electronic circuit operation, light offers an alternative to conventional logic, allowing for the implementation of new logic concepts through interaction with light. This manuscript examines the use of light in implementing new logic concepts as an alternative to traditional logic circuits and as a future technology. This article provides an overview of how to implement logic operations using light rather than voltage or current signals using optoelectronic materials such as 2D materials, metal-oxides, carbon structures, polymers, small molecules, and perovskites. This review covers the various technologies and applications of using light to dope devices, implement logic gates, control logic circuits, and generate light as an output signal. Recent research on logic and the use of light to implement new functions is summarized. This review also highlights the potential of optoelectronic logic for future technological advancements.

Two-Dimensional Tri-Hex Carbon: A Promising, Efficient, and Acid-Resistant Photocatalyst for Water Splitting

Photocatalytic hydrogen production via water splitting has been a promising method to produce clean energy and effectively reduce environmental pollution. Herein, a specific bandgap-oriented structure search was performed. A two-dimensional (2D) carbon structure comprising triatomic and hexatomic carbon rings, named 2D tri-hex carbon, was proposed to possess suitable bandgap and band edge positions for photocatalytic water splitting. Our results show that 2D tri-hex carbon has a high absorption coefficient under sunlight and high photocatalytic water-splitting efficiency under acidic conditions. The study provides insight into exploring a promising candidate in 2D carbon materials for acid-corrosion-resistant photocatalytic water-splitting applications.

Boosted lithium storage performance by local build-in electric field derived by oxygen vacancies in 3D holey N-doped carbon structure decorated with molybdenum dioxide

• 3D porous N-doped carbon decorated with MoO 2 nanoparticles were synthesized; • Oxygen vacancies were introduced into the prepared composites; • The differential charge density distribution and density of states were applied; • A 918.2 mAh g −1 at 0.1 A g −1 after 130 cycles were obtained for Li storage; • The kinetic analysis of MoO 2 /C electrodes for Li storage was carried out. Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide (MoO 2 ) nanoparticles have been successfully synthesized via a NaCl-assisted template strategy. The obtained MoO 2 /C composites offered multi-advantages, including higher specific surface area, more active sites, more ions/electrons transmission channels, and shorter transmission path due to the synergistic effect of the uniformly distributed MoO 2 nanoparticles and porous carbon structure. Especially, the oxygen vacancies were introduced into the prepared composites and enhanced the Li + intercalation/deintercalation process during electrochemical cycling by the Coulomb force. The existence of the local built-in electric field was proved by experimental data, differential charge density distribution, and density of states calculation. The uniquely designed structure and introduced oxygen vacancy defects endowed the MoO 2 /C composites with excellent electrochemical properties. In view of the synergistic effect of the uniquely designed morphology and introduced oxygen vacancy defects, the MoO 2 /C composites exhibited superior electrochemical performance of a high capacity of 918.2 mAh g –1 at 0.1 A g –1 after 130 cycles, 562.1 mAh g –1 at 1.0 A g –1 after 1000 cycles, and a capacity of 181.25 mAh g –1 even at 20.0 A g –1 . This strategy highlights the path to promote the commercial application of MoO 2 -based and other transition metal oxide electrodes for energy storage devices.

Design of methyl parathion electrochemical sensor based on expired mung bean-derived porous carbon modified glassy carbon electrode

ABSTRACT Herein, we reported a simple and sensitive methyl parathion (MP) electrochemical sensor based on the expired mung bean-derived porous carbon (MDPC)-modified glassy carbon electrode (GCE). For the fabricated MDPC/GCE sensor, MDPC presented three-dimensional (3D) interconnected porous carbon structure with good electrical conductivity, which provided more efficient charge transfer channels. Moreover, 3D interconnected porous carbon structure could help enhance the specific surface area and adsorption capacity of sensing electrode. Under the optimal conditions, the fabricated MDPC/GCE sensor showed good MP detection property with acceptable limit of detection of 13.2 nM (Linear MP concentration: 0.1–11 μM). Moreover, the fabricated MP electrochemical sensor presented good reproducibility and repeatability with relatively low relative standard deviation of 4.08% and 2.14%, respectively. The good practical performance could be realised at the fabricated MDPC/GCE sensor with satisfactory recovery (96.2–98.8%) and relative standard deviation (1.92–4.61) for the detection of MP in lake water sample.

Tetragonal Mexican-hat dispersion and switchable half-metal state with multiple anisotropic Weyl fermions in penta-graphene

Due to the paired valence electrons configuration, all known two-dimensional (2D) carbon allotropes are intrinsically nonmagnetic. Based on the reported 2D carbon structure database and first-principles calculations, herein we demonstrate that inherent ferromagnetism can be obtained in the prominent allotrope, penta-graphene, which has a unique Mexican-hat valence band edge, giving rise to van Hove singularities and electronic instability. Induced by modest hole-doping that is achievable in electrolyte gate, the semiconducting penta-graphene can be transformed into different ferromagnetic half-metals with room-temperature stability and switchable spin directions. In particular, multiple anisotropic Weyl states, including type-I and type-II Weyl cones and hybrid quasi Weyl nodal loop, can be found in a sizable energy window of spin-down half-metal under proper strains. These findings not only identify a promising carbon allotrope to obtain the inherent magnetism for carbon-based spintronic devices, but highlight the possibility to realize different Weyl states by combining the electronic and mechanical means as well.

Molten-salt confined synthesis of nitrogen-doped carbon nanosheets supported Co3O4 nanoparticles as a superior oxygen electrocatalyst for rechargeable Zn-air battery

Rational design and preparation of high-efficiency oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts is crucial for the large-scale practical application of rechargeable Zn-air batteries. In this work, employing a combined strategy of self-sacrificial template and molten-salt confinement effect, a facile one-step pyrolysis route has been developed to synthesize defect-rich N-doped carbon nanosheets supported Co3O4 nanoparticles (Co3O4@NCNs). The pyrolytic precursor is built up of NaCl encapsulated ZnO@zeolitic imidazolate framework-67 core-shell particles. Thanks to the pore-forming and oxygen source functions of ZnO and the confinement effect of NaCl, the holed NCNs in Co3O4@NCNs are interconnected into a 3D porous carbon structure with a high N-dopant level. The as-prepared Co3O4@NCNs catalyst exhibits excellent bifunctional ORR/OER electrocatalytic activities with a half-wave ORR potential (E1/2) of 0.84 V, an ultralow gap of 0.63 V between OER Ej = 10 mA/cm2 and ORR E1/2 potentials, and prominent long-term durability. Its rechargeable Zn-air battery displays a high power density up to 173.8 mW cm−2 and superior cycling stability. This work highlights a novel strategy for the component and architecture design of high-performance carbon-based electrocatalysts in energy conversion and storage systems.