Pore Edges Research Articles

The detachment of an air bubble from glass plates featured with pore structures filled with gas or water

A pore-featured surface can entrap water or gas phase inside pores and cause phase heterogeneity on the surface. This phenomenon has a significant impact on air bubble adhesion. This paper investigated the air bubble detaching processing on the glass plates featured with single and array pores filled by water or gas. Under a quasi-static and compulsive displacement, an air bubble is attached and then detached from a pore-featured surface in water. The three-phase contact line (TPL) on the pore-featured surface and associated capillary force were measured and calculated. The results showed that continuity of solid glass was intercepted by the water/gas phase on the pore opening. The TPL jumped over and cut off at the edge of pores filled with water and caused the capillary force action length largely shortened. When the pore was filled with air, the air bubble formed a capillary gas bridge that caused a retention of TPL and extended the action length of the capillary force. In the cases of arrayed pores, TPL jumped over small water-filled pore openings and caused a step-decline of capillary force. The TPL was found moving continuously over the small air-filled arrayed pores, which showed a TPL retention effect. Several applied surface porosity Φ = 0.031, 0.126, and 0.283 of the arrayed pore surfaces were found to have similar effects to the single pore surface. The revealed mechanism of the air bubble detaching process on the pore-induced phase heterogeneous surface is important in understanding and controlling the adhesion process of air bubbles.

What Is the "Other" Site in M-N-C?

Single metal atoms embedded in nitrogen-doped graphene (M-N-C) have emerged as a promising catalyst for a wide variety of reactions. In addition to the pyridinic site, there is another site responsible for the catalytic activity, but its structure is under debate. Here, we resolve its structure using first-principles calculations. Using Fe-N-C as a representative example, we systematically explore numerous possible structures and discover a new moiety with comparable energy to the pyridinic. This moiety features a hybrid coordination environment between pyridinic and porphyrinic and is located at the edge of graphene sheets or pores. We further calculate its X-ray absorption spectrum, catalytic thermodynamics for oxygen reduction reaction (ORR), and stability under ORR conditions, all of which support its existence. Lastly, we show that this site also exists in other M-N-C with different M elements. This study uncovers a new and important structure in M-N-C and paves a critical step toward site engineering for improved catalytic performance.

High-Cycle Fatigue Fracture Behavior and Stress Prediction of Ni-Based Single-Crystal Superalloy with Film Cooling Hole Drilled Using Femtosecond Laser

A high-temperature, high-cycle fatigue test was conducted on a nickel-based single-crystal superalloy with a pore structure. Optical and scanning electron microscopy were utilized to examine the crack propagation paths and fatigue fracture surfaces at the macro and micro scales. The analysis of crack initiation and propagation related to the pore structure facilitated the development of a crack shape factor reflecting these distinct fracture behaviors. Predictions about the high-cycle fatigue stress experienced by the specimen were made, accompanied by an error analysis, providing critical insights for precise stress calculations and structural optimization in engine blade design. The results reveal that high-cycle fatigue cracks originate from corner cracks at pore edges, with the initial propagation displaying smooth crystallographic plane features. Subsequent stages show clear fatigue arc patterns in the propagation zones. The fracture surface exhibits the significant layering of oxide layers, primarily composed of NiO, with traces of CoO displaying columnar growth. AL2O3 is predominantly found at the interfaces between the matrix and oxide layers. Short and straight dislocations near the oxide layers and within the matrix suggest that dislocation multiplication and planar slip dominate the slip mechanisms in this alloy. The orientation of the fracture surface is mainly perpendicular to the load direction, with minor inclined facets in localized areas. Correlations were established between the plastic zone dimensions at the crack tips and the corresponding fatigue stresses. Without grain boundaries in single-crystal alloys, these dimensions are easily derived as parameters for fatigue stress analysis. The selected crack shape factor, “elliptical corner crack at pore edges”, captures the initiation and propagation traits relevant to porous structures. Subsequent calculations, accounting for the impact of oxide layers on stress assessments, indicated an error ratio ranging from 1.00 to 1.21 compared to nominal stress values.

Damage quantification in concrete under uniaxial compression using microcomputed tomography and digital volume correlation with consideration of heterogeneity

Finite element-based digital volume correlation with mechanical regularization was utilized to measure the deformation fields in a concrete specimen under uniaxial compression based on in-situ (via microcomputed tomography) experiment. Heterogeneous and damage settings were introduced in the mechanical regularization. The mechanical response of the matrix and aggregates was investigated. The three-dimensional morphology of subvoxel microcrack openings was measured, the overall assessment and local depiction of concrete damage were quantified. Subvoxel microcrack openings greater than 0.26 vx were identified. The average maximum principal and average volumetric strains in the matrix were higher than those in the aggregates, and noticeable strain concentrations existed in the interfacial transition zone and pore edges. Microcracks initiated in the macroscopic elastic stage, whereas voxel-level crack openings were observed at 90% of the ultimate load. This study provides experimental support for further revealing the growth process of concrete damage.

Achieving high-strength, high-porosity and relatively low-shrinkage in extrusion-based 3D printed ZrO2 ceramics by adjusting CaCO3 addition and sintering temperature

High-strength, high-porosity and relatively low-shrinkage ZrO2 ceramics were successfully fabricated by material extrusion 3D printing technology via optimizing CaCO3 addition and sintering temperature. The effects of different CaCO3 additions on the performance, phase formation, and microstructure of porous ZrO2 ceramics sintered at different temperatures were systematically investigated and discussed. The results showed that flexural strength, porosity and shrinkage of the ZrO2 ceramics were significantly affected by CaCO3 addition and sintering temperature. The appropriate addition of CaCO3 could promote sintering and phase transformation of m-ZrO2, increase the number and size of pores in the matrix. The corresponding flexural strength and porosity of the sintered samples increased, while the shrinkage rate decreased. The raised sintering temperature appropriately facilitated the formation of CaZrO3. Microstructural analysis indicated that CaZrO3 exhibited a larger polyhedral bulk morphology, mainly distributed at the edges of pores, which could stabilize the pore structure and thicken the sintering necks, and thereby exhibiting well-balanced comprehensive performance. The ZrO2 ceramics with high flexural strength, high porosity and relatively low shrinkage rate were achieved by adding 15 wt% CaCO3 and sintering at 1450 ℃. The resulting flexural strength and porosity were 27.33 MPa and 67.62 %, respectively, presenting an improvement of 563.35 % and 13.69 % compared to ZrO2 ceramics without CaCO3. Moreover, the shrinkage rates in the X-direction (9.98 %), Y-direction (9.62 %), and Z-direction (9.94 %) significantly reduced, decreasing by 38.28 %, 38.10 %, and 41.46 %, respectively.

Enhanced magnetism derived from pore-edge spins in thin Fe3GeTe2 nanomeshes

The growth of two-dimensional van der Waals magnetic materials presents attractive opportunities for exploring new physical phenomena and valuable applications. Among these materials, Fe3GeTe2(FGT) exhibits a variety of remarkable properties and has garnered significant attention. Herein, we have for the first time created a nanomesh structure-a honeycomb-like array of hexagonal nanopores-with the zigzag pore-edge atomic structure on thin FGT flakes with and without oxidation of the pore edges. It is revealed that the magnitude of ferromagnetism (FM) significantly increases in both samples compared with bulk flakes without nanomeshes. Critical temperature annealing results in the formation of zigzag pore edges and interpore zigzag-edge nanoribbons. We unveil that the non-oxide (O) termination of the Fe dangling bonds on these zigzag edges enhances FM behavior, while O-termination suppresses this FM by introducing antiferromagnetic behavior through edge O-Fe coupling. FGT nanomeshes hold promise for the creation of strong FM and their effective application in magnetic and spintronic systems.

A numerical simulation method for ultrasonic transmission in cancellous bone based on a four-parameter random growth method

Abstract Quantitative ultrasound (QUS) has been widely used in non-destructive evaluation of bone health in research and clinical practice. To make a more accurate bone evaluation, the transmission characteristics of ultrasound in the bone need to be understood in detail. In the two-dimensional finite element model, cancellous bone is usually simulated by a non-porous structure solid or by approximating bone trabeculae as ellipses, which is different from real bone. However, although the error of the model constructed by bone CT images is small, it needs to be based on real bone samples, and the samples are limited. Therefore, a modeling method of cancellous bone based on four-parameter random growth method was proposed in this paper, and on this basis, numerical simulation of ultrasonic transmission was carried out. Firstly, based on the four-parameter random growth method, the aggregation algorithm is used to concentrate discrete pixels and smooth the edge of pores. Meanwhile, the built-in algorithm ensures the same porosity before and after processing to reduce the discrete pore structure. Secondly, based on COMSOL to establish the simulation model of ultrasonic propagation in cancellous bone, we analyzed the change of acoustic field distribution, discussed the correlation between the porosity of cancellous bone and backscattering coefficient (BSC) based on the ultrasonic backscattering method, and compared the experimental results of CT scan images of bone samples. The experimental results show that the cancellous bone modeling method in this paper has the same conclusion as the method based on CT images, which verifies the feasibility of this method. This method can generate a geometric model of the cancellous bone microstructure with specified porosity and different bone trabecular distribution, which is similar to the real bone structure, and can be directly imported into the finite element software to facilitate the study of bone microstructure related problems. It provides a more convenient method to study the mechanism of ultrasonic propagation in cancellous bone and has important significance in solving the inverse problem of recovering effective bone parameters from the received ultrasonic signals.

Graphene membranes with pyridinic nitrogen at pore edges for high-performance CO2 capture

Graphene membranes with pyridinic nitrogen at pore edges for high-performance CO2 capture

Efficiently reconstructing high-quality details of 3D digital rocks with super-resolution Transformer

Accurate pore-scale modeling demands high-quality digital rock images, which should possess a broad imaging field of view (FOV) and high resolution to characterize multi-scale rock components. However, achieving both conditions simultaneously is challenging due to hardware constraints. Super-resolution techniques can mitigate this issue by reconstructing high-resolution details from low-resolution images captured with a wide FOV. To reconstruct high-quality 3D digital rocks, we propose a novel Efficient Attention Super-Resolution Transformer (EAST) model. It integrates self-attention and channel attention mechanisms and undergoes structural optimization. Evaluation demonstrates that EAST achieves superior reconstruction quality with a 1.85 × speedup while reducing parameters by 78 % over the advanced model. Additionally, to tailor to the characteristics of digital rocks and the constrained dataset, we employ a hybrid loss function along with two data augmentation techniques. Visualizations reveal that EAST can resist noise and blur interference, highlighting valuable features such as pore edges and textures. Ultimately, we introduce an approach based on self-supervised fine-tuning to enhance the model robustness. Direct flow simulation verifies that the reconstructed results closely align with high-resolution images in terms of physical accuracy. EAST reduces the relative error of the absolute permeability by 18.5 % and 33 % over the Tricubic method on two external samples.

Functional nanoporous graphene superlattice

Two-dimensional (2D) superlattices, formed by stacking sublattices of 2D materials, have emerged as a powerful platform for tailoring and enhancing material properties beyond their intrinsic characteristics. However, conventional synthesis methods are limited to pristine 2D material sublattices, posing a significant practical challenge when it comes to stacking chemically modified sublattices. Here we report a chemical synthesis method that overcomes this challenge by creating a unique 2D graphene superlattice, stacking graphene sublattices with monodisperse, nanometer-sized, square-shaped pores and strategically doped elements at the pore edges. The resulting graphene superlattice exhibits remarkable correlations between quantum phases at both the electron and phonon levels, leading to diverse functionalities, such as electromagnetic shielding, energy harvesting, optoelectronics, and thermoelectrics. Overall, our findings not only provide chemical design principles for synthesizing and understanding functional 2D superlattices but also expand their enhanced functionality and extensive application potential compared to their pristine counterparts.

Distribution and genesis of the Maokou Formation dolomite in Fengdu-Shizhu area, eastern Sichuan Basin

To investigate the development laws and genesis of the Maokou Formation dolomite in the Fengdu-Shizhu area, we analyzed core, thin section, logging, and geochemical data, and obtained the following understandings: 1. The Maokou Formation dolomite includes layered granular dolomite and leopard-spotted limy dolomite which are fine to medium, and moderately euhedral, and have intergranular pores and intergranular dissolved pores; 2. Vertically, the dolomite is the superimposition of multiple stages, 3–12 m a layer and cumulatively up to 30 m. The distribution of the dolomite is controlled by sedimentary cycles and is commonly found in the middle and upper parts of the cycle; 3. The analysis of rare earth distribution and carbon, oxygen, and strontium isotopes indicates that the dolomitizing fluid is the penecontemporaneous saline seawater, and some pore edges were affected by later hydrothermal dolomitization, resulting in recrystallization of dolomite and cementation of saddle-like dolomite; 4. The relationship between the plane distribution of the dolomite and the paleogeographic pattern during the sedimentary period indicates that the dolomite is concentrated in the granular shoals near geomorphic highlands and slope break zones. In summary, it is proposed that the overlap and migration of granular shoals and isolated seawater promoted the occurrence of reflux infiltration of dolomitizing fluid and dolomitization. Multistage granular shoals on the platform margin provide a good material foundation for the development of dolomite. Karstification is conducive to the occurrence of early dolomitization within the shoals and the preservation of pores. It is found that the early dolomite of the Maokou Formation is best developed in the highlands of faults 15 and 16. The basement faults controlled the sedimentary paleogeomorphology, thereby restricting the distribution of dolomite. This understanding provides a new idea for the exploration of dolomite in the Maokou Formation in the Sichuan Basin.

Surface topology of MXene flakes induces the selection of the sintering mechanism for supported Pt nanoparticles.

Sintering of metal nanocatalysts leading to particle growth and subsequent performance deactivation is a primary issue that hinders their practical applications. While metal-support interaction (MSI) is considered as the critical factor which influences the sintering behavior, the underlying microscopic mechanism and kinetics remain incompletely understood. Here, by using in situ scanning transmission electron microscopy (STEM) and theoretical analysis, we reveal the selection rule of the sintering mechanism for Pt nanoparticles on a two-dimensional (2D) MXene (Ti3C2T x ) support, which relies on the surface topology of MXene flakes. It is demonstrated that the sintering of Pt nanoparticles proceeds via Ostwald ripening (OR) in the surface defect (such as steps and pore edges) regions of MXene flakes due to strong MSI on the Pt/MXene interface; conversely, weak MSI between Pt nanoparticles and the planar surface of MXene leads to prevalent particle migration and coalescence (PMC) for sintering. Furthermore, our quantitative analysis shows a significant divergence in sintering rates for PMC and OR processes. These microscopic observations suggest a clear "sintering mechanism-MSI" relationship for Pt/MXene nanocatalysts and may shed light on the design of novel nanocatalysts.

Graphene crown pore for efficient heavy metal ion Removal: Protonated vs. Non-protonated

The rapid progression of industrialization has significantly intensified the contamination of water resources by heavy metal ions, thereby exacerbating the global challenge of water scarcity. Aiming at solving this pressing issue of worldwide freshwater scarcity, nanomaterial and nanotechnology show a pivotal alternative in wastewater treatment. In this study, we construct distinct graphene nanosheets with varying shaped and sized pores (named as graphene crown pores) and assess the protonation of the pore edges to the heavy metal ion removal capacity. Employing molecular dynamics (MD) simulations, we demonstrate that protonated graphene nanopores exhibit exceptional water permeability and outstanding ion rejection rates. Moreover, our free energy calculations confirm that water molecules encounter a lower energy barrier compared to ions when traversing through graphene crown pores. Furthermore, the non-protonated graphene pores allow faster water permeance while compromising the ion rejection, yielding a dissatisfactory performance of metal ion removal. Detailed analysis suggest that the protonated pore endows the pore with a positively charged center, obstructing the passage of heavy metal ions. Therefore, our findings not only propose the protonated graphene crown pores for efficient heavy metal ion removal but also reveal the corresponding molecular mechanism, which is useful for future application of such membranes for heavy metal ion removal.

Influence of multistage hydrothermal fluids on dolomite reservoirs: A case study from the Lower Ordovician Yeli-Liangjiashan Formation in the Chengdao-Zhuanghai area, Jiyang subbasin, Bohai Bay Basin, China

It remains controversial whether the influence of hydrothermal fluids on dolomite reservoirs is dominated by dissolution or precipitation. In this study, the influence of multistage hydrothermal fluids on the dolomite reservoirs of the Lower Ordovician Yeli-Liangjiashan Formation in the Chengdao-Zhuanghai area was investigated based on petrographic observations and geochemical analyses, with an emphasis on the temporal relationships among dolomitization, pore formation, and multistage hydrothermal fluid activities determined by in situ U-Pb dating. The δ18O, δ13C, and 87Sr/86Sr data indicate that the genesis of pre-hydrothermal dolomites and the earliest-formed dolomite cement (Cd1) closest to the edges of pores were related to coeval seawater. The U-Pb age of pre-hydrothermal dolomites is 427 ± 11 Ma, representing the time when early dolomitization occurred. The original pore formation predates the precipitation of Cd1 with a U-Pb age of 391 ± 12 Ma. Stage I and stage II hydrothermal fluids were derived from the Precambrian basement and the mantle, respectively, as evidenced by differences in δ18Ofluid values and rare earth element characteristics. Stage I and II hydrothermal fluids occurred at 161 ± 12 Ma and 81 ± 16 Ma, respectively. Therefore, early dolomitization and pore formation are not correlated with the two stages of hydrothermal fluids. Stage II hydrothermal fluids contained a relatively higher amount of H2S than stage I hydrothermal fluids. H2S-related dissolution caused by stage II hydrothermal fluids mainly occurred in the dolomite reservoirs adjacent to major faults, and H2S was gradually consumed as the distance from the major faults increased. The two stages of hydrothermal minerals successively filled most of the spaces in pores and fractures. The influence of multistage hydrothermal fluids on dolomite reservoirs was found to be dominated by precipitation.

Metal cation cross-linked 3D frameworks of Fe3O4 nanospheres encapsulated in graphene nanomesh with enhanced anode performance for lithium-ion batteries

Transition metal oxide (TMO) particles encapsulated in graphene shell has been reported to be an ideal lithium-ion batteries (LIBs) anode due to its well TMO particles volumetric adaptability upon cycling. In this paper, to further enhance the structural stability as well as electrochemical performance of Fe3O4-based electrodes for LIBs, 3D composite structures of Fe3O4 nanospheres (NSs) encapsulated in interconnected holey graphene nanosheets (Ca2+/p-rGO@Fe3O4) were fabricated by facile hydrothermal process using Ca2+ as crosslinker and hydrogen peroxide (H2O2) as etching agent. The composite was characterized by X-ray diffractometer (XRD), Scanning electron microscope (SEM), Transmission electron microscope (TEM), Fourier Transform Infrared Spectrometer (FTIR), and other test methods. The morphological and structural tests show that Fe3O4 NSs are homogenously embedded in the 3D framework of interconnected graphene nanomesh aerogels. Based on its unique structure, the Ca2+/p-rGO@Fe3O4 composite electrode delivers an initial discharge and charge capacities of 1288 and 783 mA h g−1, respectively, remarkable rate capability at current densities from 0.1 to 2 A g−1 and excellent cyclic stability with respect to that of its counterparts Ca2+/rGO@Fe3O4 electrode, p-rGO@Fe3O4 electrode and rGO@Fe3O4 electrode, which are prepared using a similar synthetic procedure but without the addition of H2O2 or CaCl2 or neither. It is proved that the synergistic effects of Ca2+-induced crosslinking reaction at the edge of GO nanosheets and in-plane pores on graphene coated on the surface of Fe3O4 can enhance the whole electrochemical performance of anode for LIBs.

Coordinatively unsaturated single-atom Cu catalysts with enhanced catalytic activity for furfural upgrading

The regulation of coordination number of metal single-atom (SA) sites is important and effective to tailor their catalytic performances. Herein, we report a novel defect-induced strategy for the fabrication of Cu SAs with unsaturated coordination configurations (Cu1C2). During the synthesis, polyvinyl pyrrolidone is employed to stabilize atomic Cu nodes and generate pores in adjacent areas. Systematical characterizations indicate the atomic distribution of Cu on C2 sites at the edge of pores in carbon support. The unsaturated coordination configurations and edge effect of the Cu1C2 moieties endow it with asymmetric geometry and shortened Cu-C bond length, leading to polarized charge distributions and up-shifted total density of states towards the Fermi level, which could facilitate O2 activation and lower oxidative coupling barriers. Impressively, Cu1C2@C exhibits superior catalytic performances in the oxidative coupling of furfural with isopropanol into 4-(2-furyl)-buten-2-one (a typical C8 biofuel intermediate), outperforming the Cu1C4@C counterpart.

How the Porous Transport Layer Interface Affects Catalyst Utilization and Performance in Polymer Electrolyte Water Electrolysis.

Cost reduction and fast scale-up of electrolyzer technologies are essential for decarbonizing several crucial branches of industry. For polymer electrolyte water electrolysis, this requires a dramatic reduction of the expensive and scarce iridium-based catalyst, making its efficient utilization a key factor. The interfacial properties between the porous transport layer (PTL) and the catalyst layer (CL) are crucial for optimal catalyst utilization. Therefore, it is essential to understand the relationship between this interface and electrochemical performance. In this study, we fabricated a matrix of two-dimensional interface layers with a well-known model structure, integrating them as an additional layer between the PTL and the CL. By characterizing the performance and conducting an in-depth analysis of the overpotentials, we were able to estimate the catalyst utilization at different current densities, correlating them to the geometric properties of the model PTLs. We found that large areas of the CL become inactive at increasing current density either due to dry-out, oxygen saturation (under the PTL), or the high resistance of the CL away from the pore edges. We experimentally estimated the water penetration in the CL under the PTL to be ≈20 μm. Experimental results were corroborated using a 3D-multiphysics model to calculate the current distribution in the CL and estimate the impact of membrane dry-out. Finally, we observed a strong pressure dependency on performance and high-frequency resistance, which indicates that with the employed model PTLs, a significant gas phase accumulates in the CL under the lands, hindering the distribution of liquid water. The findings of this work can be extrapolated to improve and engineer PTLs with advanced interface properties, helping to reach the required target goals in cost and iridium loadings.

Porous 2D Catalyst Covers Improve Photoelectrochemical Water-Oxidation Performance.

Confined catalysis under the cover of 2D materials has emerged as a promising approach for achieving highly effective catalysts in various essential reactions. In this work, a porous cover structure is designed to boost the interfacial charge and mass transfer kinetics of 2D-covered catalysts. The improvement in catalytic performance is confirmed by the photoelectrochemical oxidation evolution reaction (OER) on a photoanode based on an n-Si substrate modified with a NiOx thin-film model electrocatalyst covered with a porous graphene (pGr) monolayer. Experimental results demonstrate that the pGr cover enhances the OER kinetics by balancing the charge and mass transfer at the photoanode and electrolyte interface compared to the intrinsic graphene cover and cover-free control samples. Theoretical investigations further corroborate that the pore edges of the pGr cover boost the intrinsic catalytic activity of active sites on NiOx by reducing the reaction overpotential. Furthermore, the optimized pores, which can be easily controlled by plasma bombardment, allow oxygen molecules produced in the OER to pass through without peeling off the pGr cover, thus ensuring the structural stability of the catalyst. This study highlights the significant role of the porous cover structure in 2D-covered catalysts and provides new insight into the design of high-performance catalysts.

Pores of the internal limiting membrane: A common finding in vitreo-maculopathies.

To describe presence and distribution of pores of the inner limiting membrane (ILM) in eyes with vitreo-maculopathies. ILM specimens were harvested from 117 eyes of 117 patients during vitrectomy with membrane peeling from eyes with vitreomacular traction syndrome, idiopathic and secondary epiretinal gliosis, and idiopathic full-thickness macular hole (FTMH). All specimens were processed as flat-mounts for immunocytochemistry and examined by phase-contrast, interference and fluorescence microscopy. Demographic and clinical data were correlated. ILM pores were found in all vitreo-maculopathies. They were identified in 47 (40.2%) of 117 eyes being most evident with anti-laminin. In eyes with FTMH >400μm, pores were seen in more than half of all eyes. They occur as numerous and uniformly distributed defects of the flat mounted ILM with a mean diameter of 9.5 ± 2.4 µm. Edges of ILM pores are round with an irregular contour and no specific cellular pattern. Pores were distinguished from retinal vessel thinning and iatrogenic artefacts. Contrary to previous reports, ILM pores are a common finding in vitreo-maculopathies easily visible with anti-laminin staining. Further studies are needed to clarify whether their presence correlates with differences in disease progression or imaging before and after vitrectomy with ILM peeling.

Porous pentagraphene nanotube halogen gas sensor: a first principles study

The recent technological revolution in nanoscience has created a huge potential to build highly sensitive, low-cost and power efficient portable sensors. Here, we have investigated the novel nano-porous penta-graphene nanotube (PGNT) device for detection and separation of halogen gases like fluorine (F2), chlorine (Cl2), bromine (Br2) and iodine (I2). The host carbon atoms are selectively removed to create the nanopores on the tube surface. 1, 2, 3 and 4 host carbon atoms are removed from the surface to create vacancies which were then investigated for detection and separation of halogen gases using functionalisation of pore edges. The I-V measurements were performed to establish the gas detection application of these novel porous structures. Furthermore, interaction energy graphs were obtained which show efficient separation of various halogen molecules by functionalising the pores with F2, Cl2 and H atoms.