2D Honeycomb Research Articles

Assembly-inspired multiferroicity with nontrivial Chern insulating phase from exohedral metallofullerenes.

Fullerene-assembled low-dimensional materials have been experimentally realized in polymorphic forms and have attracted significant interest very recently. Here, we predict a two-dimensional (2D) honeycomb lattice material TM2(C60)3 (TM = Cr, Mo, and W) assembled from exohedral metallofullerene clusters TM(C60)3 that could exhibit planar triangular geometries. According to first-principles calculations combined with Monte Carlo simulations, we suggest that these 2D assembled materials exhibit various exotic physical properties, including ferromagnetism, ferroelectricity, and quantum anomalous Hall effect. Interestingly, mechanical strains could effectively tune their magnetic moments and switch the conducting spin channel of the Dirac bands at the Fermi level. Our work provides a new cluster-assembly design strategy toward cluster-assembled 2D materials based on fullerene characters.

Coupled Electronic and Magnonic Topological States in Two-Dimensional Ferromagnets.

Magnetic materials offer a fertile playground for fundamental physics discovery, with not only electronic but also magnonic topological states intensively explored. However, one natural material with both electronic and magnonic nontrivial topologies is still unknown. Here, we demonstrate the coexistence of first-order topological magnon insulators (TMIs) and electronic second-order topological insulators (SOTIs) in 2D honeycomb ferromagnets, giving rise to the nontrivial corner states being connected by the charge-free magnonic edge states. We show that, with symmetry, the phase factor ± ϕ caused by the next nearest-neighbor Dzyaloshinskii-Moriya interaction breaks the pseudo-spin time-reversal symmetry , which leads to the split of magnon bands, i.e., the emergence of TMIs with a nonzero Chern number of , in experimentally feasible candidates of MoI3, CrSiTe3, and CrGeTe3 monolayers. Moreover, protected by the symmetry, the electronic SOTIs characterized by nontrivial corner states are obtained, bridging the topological aspect of fermions and bosons with a high possibility of innovative applications in spintronics devices.

Energy absorption characteristics and multi-objective optimization of 3D bionic negative Poisson’s ratio honeycomb

This paper introduces a new bionic cell element with a negative Poisson’s ratio, which is derived from the traditional re-entrant hexagonal cell element. By incorporating rotation into the two-dimensional (2D) cell element, a three-dimensional (3D) cell element is formed, which exhibits enhanced mechanical properties. The 3D honeycomb is obtained by arraying the 3D cell elements and is enhanced by adding longitudinal ribs to the honeycomb. The present study employs the ABAQUS/EXPLICIT software to investigate the correlation between various compression velocities and the crashworthiness and energy absorption capacity of a given system. The effects of different compression velocities on the 3D honeycomb deformation pattern and energy absorption performance are analyzed. The simulation results show that the new bionic negative Poisson’s ratio honeycomb has better crashworthiness and energy absorption capacity than the traditional re-entrant hexagonal honeycomb. The nominal stress-strain curves of different honeycombs and the energy absorbed per unit mass of honeycomb are compared and analyzed, and the NSGA-II genetic algorithm is used to perform a multi-objective optimization analysis of the peak stress and energy absorbed per unit mass of honeycomb. The results show that the optimized honeycomb can increase the absorbed energy per unit mass by 7.5 % when the peak stress is the same as the initial honeycomb, while the peak stress can be reduced by 9.6 % when the absorbed energy per unit mass is the same.

Asymptotic, second-order homogenization of linear elastic beam networks

We propose a general approach to the higher-order homogenization of discrete elastic networks made up of linear elastic beams or springs in dimension 2 or 3. The network may be nearly (rather than exactly) periodic: its elastic and geometric properties are allowed to vary slowly in space, in addition to being periodic at the scale of the unit cell. The reference configuration may be prestressed. A homogenized strain energy depending on both the macroscopic strain ɛ and its gradient ∇ɛ is obtained by means of a two-scale expansion. The homogenized energy is asymptotically exact two orders beyond that obtained by classical homogenization. The homogenization method is implemented in a symbolic calculation language and applied to various types of networks, such as a 2D honeycomb, a 2D Kagome lattice, a 3D truss and a 1D pantograph. It is validated by comparing the predictions of the microscopic displacement to that obtained by full, discrete simulations. This second-order method remains highly accurate even when the strain gradient effects are significant, such as near the lips of a crack tip or in regions where a gradient of pre-strain is imposed.

Thermal conductivity of epoxy composites containing 3D honeycomb boron nitride filler

Polymer matrix composites with excellent thermal management performance have emerged as remarkable materials in the realms of microelectronic devices and wireless communication technologies. However, achieving high thermal conductivity in most composites often requires a high filling load, which will compromise other desirable properties. Herein, utilizing physical foaming and vacuum infiltration methods, we introduce a 3D honeycomb composite consisting of surface-hydroxylated hexagonal boron nitride (OH-BN) and epoxy. The 3D OH-BN honeycomb foam in the composite features a lightweight design (0.33 g/cm3), high strength (7178 times its own weight) and prominent heat transfer performance. Significantly, these composites achieve notable thermal properties, including high through-plane thermal conductivity (2.073 W m−1 K−1) and relatively low thermal resistance (0.995 °C/W) at a reduced filling load (17.2 vol%). In comparison with pure epoxy, the through-plane thermal conductivity is enhanced by an impressive 894 %, while the thermal resistance is reduced to 1/9.4 of that observed in pure epoxy. Besides, the 3D honeycomb composites combine outstanding mechanical performance, low dielectric properties and excellent insulation, underscoring their potential in the field of thermal management applications in microelectronic devices, wireless communication systems and integrated circuits.

Structural improvement of 3D woven honeycomb composite liner for enhanced energy absorption and impact performance in aircrew helmet

This study aims to enhance the performance of aircrew helmet liners made of 3D woven honeycomb composites through structural improvements. To achieve this, an optimization of the honeycomb design was carried out using a statistical tool by varying its geometrical parameters. A Box Behnken design was employed, using three independent factors: cell height, cell size, and cell wall thickness to assess its impact and their interactions on responses. The performance was evaluated using a multiobjective response to maximize impact energy absorption, achieve the target cushion factor, and balance relative density for lightweight design. Since the liner materials were subjected to flatwise compression and dynamic impact tests to assess the performance. Their behavior. The results revealed that the honeycomb core with a cell height of 15 mm, a cell size of 10 mm, and a cell wall thickness of 0.6 mm exhibited good behavior. The response surface analysis and contour plots were used to analyze the interactions and combined effects of variables on each response. It was observed that lesser cell size shows significant improvement in impact energy with higher wall thickness. However, the cushion factor implies inadequate energy mitigation. The analysis comparing desirability and confirmatory experiments highlighted the potential for the aircrew helmet liner to achieve its maximum performance. This study provides valuable insights into the structural design of 3D woven honeycomb composite liners for aircrew helmets and its findings signify the potential for applications in the aerospace and defense industries.

Design, characterization, and performance evaluation of novel PVA/CS/CNF/MOP TN ionic conductive hydrogels for flexible sensors

AbstractFlexible hydrogel polymers with excellent stretchability, high conductivity, and biocompatibility are widely used to prepare flexible sensing devices. However, it remains difficult to simultaneously combine excellent tensile capacity and high ion conducting ability into a simple hydrogel material. While PVA‐based hydrogels have been developed before, this work focuses on a unique preparation method. It solves the engineering problem of making hydrogels that have both high elongation at break and high ionic conductivity. In the study, we introduced cellulose nanofibers (CNFs) into polyvinyl alcohol (PVA)/chitosan (CS) cross‐linked polymer networks to form triple network (TN) composite hydrogel. The labyrinthine three‐dimensional (3D) honeycomb through‐hole network nanostructure generated by the addition of CNF provides the hydrogel with excellent mechanical properties. Then, the simple salting‐out strategy of muriate of potash (MOP) solution gives the hydrogel superior mechanical properties and high ionic conductivity. The prepared PVA/CS/CNF/MOP TN ionic conductive hydrogel not only exhibits excellent mechanical properties (toughness up to 2.39 MJ m−3, fracture strength up to 1.78 MPa, fracture strain up to 350%) but also has impressive ionic conductivity (highest to 8.4 S m−1). The flexible hydrogel strain sensor assembled from the PVA/CS/CNF/MOP TN ionic conductive hydrogel showed remarkable sensitivity (gauge factor for 6.9) and the ability to detect human motions reliably. Besides, the hydrogel also has maintained long‐term antimicrobial and antioxidant properties. The study provided a new perspective on designing multifunctional materials featuring strong mechanical properties and high ionic conductivity, contributing to the advancement of flexible sensor technologies.

Highly ordered 2D honeycomb polyoxometalate clusterphene for efficient photocatalytic degradation of organic pollutants: Mechanism, pathways, and toxicity evaluation

Self-assembled nanomaterials have aroused enormous interest owing to their enhanced physicochemical properties as compared to monomers. Herein, two-dimensional Nd-based polyoxometalate clusterphene (Nd-POMCene) with a highly ordered honeycomb structure is synthesized by self-assembly, which is demonstrated with efficient photocatalytic degradation performance towards organic dyes, such as Rhodamine B (RhB), methylene blue, and crystal violet. Especially, RhB can be totally photodegraded by Nd-POMCene under the simulated sunlight within 1 h while a degraded efficiency of 97.50 % can be achieved under natural light within 2 h. As proved by the density functional theory results, the highly ordered structure of POMCene is beneficial for enhancing photocatalytic performance associated with the improved separation/transmission of photogenerated electron/hole pairs and large-scale electron delocalization. The mechanism study provides compelling evidence to demonstrate that all of holes, hydroxyl radicals, and superoxide radicals chemically account for the efficient photodegradation by Nd-POMCene. Finally, it is verified that there is much less toxicity in the degradation products of RhB.

Stackable and Deployable Laser‐Induced Graphene Layers Toward the Flexible Manufacturing of Smart 3D Honeycombs with Multifunctional Performance

AbstractSmart honeycombs are becoming the novel structural strategy for next‐generation devices and equipments. Unfortunately, traditional surface‐coating, structural immersing, and 3D printing approaches still face significant challenges in combining structural customization and performance multifunctionality. Herein, a brand‐new processing strategy is developed to construct graphene‐based smart honeycombs by stacking and deploying laser‐induced graphene (LIG) layers with alternatively inserted adhesives. Through tuning key parameters, various LIG‐enabled smart honeycombs (LIG‐HC) can be assembled with scalable areal dimension and thickness, variable cell sizes and shapes, as well as patternable graphene clusters. By further understanding the process‐dependent structural stability and electrical conductivity, multifunctional characteristics are systematically explored, including anisotropic mechanical, electrical, piezoresistive, and electromagnetic performance. To finally demonstrate the unique honeycomb multifunctionally applied in fields of aviation, an intelligent LIG‐HC enabled aircraft‐wing model is representatively constructed for performing anti‐/de‐icing, high‐temperature warning, flame retardancy, pressure and vibration monitoring, as well as electromagnetic shielding and stealth.

Porous 3D honeycomb structures formed from interconnected Ni(OH2) sheets on CNT-coated hybrid framework as high-performance electrodes for supercapacitors

Here, we report the effective hydrothermal synthesis of nickel hydroxide [Ni(OH)2] nanomaterials with a honeycomb-like structure comprising two-dimensional (2D) nanoplates formed from nanosheet arrays. According to the powder X-ray diffraction data, a composite consisting of Ni(OH)2 and carbon nanotubes was effectively created. The presence of significant vibrations of CNT and Ni(OH)2 was verified by FTIR and Raman spectra. Elements in the synthesized composite were validated by energy-dispersive X-ray analysis, and experimental and theoretical values agreed well. Specific capacitance of 1715 Fg−1 at 1 Ag−1 was attained with novel Ni(OH)2 designs incorporated over CNT Ni foam. The effectiveness of the honeycomb Ni(OH)2@CNT network device is equivalent to that of existing carbon-based and metal oxide/carbon-based solid-state supercapacitor devices, with a maximum energy density of 77.2 Whkg−1 and a power density as high as 866 Wkg−1. In particular, after 10,000 cycles, this material retains a large percentage of its original capacitance (94.4 % to be exact) while still maintaining a respectable Coulombic efficiency (84.5 %). These encouraging findings suggest these materials might be used in efficient, cheap, and safe energy storage systems.

Three-dimensional electro-neural interfaces electroplated on subretinal prostheses

Objective. Retinal prosthetics offer partial restoration of sight to patients blinded by retinal degenerative diseases through electrical stimulation of the remaining neurons. Decreasing the pixel size enables increasing prosthetic visual acuity, as demonstrated in animal models of retinal degeneration. However, scaling down the size of planar pixels is limited by the reduced penetration depth of the electric field in tissue. We investigated 3-dimensional (3d) structures on top of photovoltaic arrays for enhanced penetration of the electric field, permitting higher resolution implants. Approach. 3D COMSOL models of subretinal photovoltaic arrays were developed to accurately quantify the electrodynamics during stimulation and verified through comparison to flat photovoltaic arrays. Models were applied to optimize the design of 3D electrode structures (pillars and honeycombs). Return electrodes on honeycomb walls vertically align the electric field with bipolar cells for optimal stimulation. Pillars elevate the active electrode, thus improving proximity to target neurons. The optimized 3D structures were electroplated onto existing flat subretinal prostheses. Main results. Simulations demonstrate that despite exposed conductive sidewalls, charge mostly flows via high-capacitance sputtered iridium oxide films topping the 3D structures. The 24 μm height of honeycomb structures was optimized for integration with the inner nuclear layer cells in the rat retina, whilst 35 μm tall pillars were optimized for penetrating the debris layer in human patients. Implantation of released 3D arrays demonstrates mechanical robustness, with histology demonstrating successful integration of 3D structures with the rat retina in-vivo. Significance. Electroplated 3D honeycomb structures produce vertically oriented electric fields, providing low stimulation thresholds, high spatial resolution, and high contrast for pixel sizes down to 20 μm. Pillar electrodes offer an alternative for extending past the debris layer. Electroplating of 3D structures is compatible with the fabrication process of flat photovoltaic arrays, enabling much more efficient retinal stimulation.

Comparative study of the mechanical properties of glass and Kevlar fiber-reinforced honeycomb composite

Honeycomb sandwich structures have wide range of applications in the aircraft, automobile, and satellite sectors due to their superior properties such as high specific strength, stiffness, energy absorption, and high impact strength. In this study, mechanical characteristics such as compression, three-point bending, and in-plane impact properties of 3D woven honeycomb composites produced from Kevlar and glass fiber were investigated. The focus of this research is to compare the mechanical performance of woven honeycomb composites developed from these two fibers with similar cell structures. The results revealed that Kevlar fiber honeycomb composite shows higher peak load and energy absorption for flatwise and edgewise compression while in three-point bending and in-plane impact, glass fiber honeycomb composite shows higher peak load, and impact energy absorption. The deformations shown in all the mechanical properties give the ductile behavior for Kevlar fiber and brittle behavior for glass fiber composite. The findings of the study suggest that the failure modes are mostly determined by the nature of the material itself.

3D piezoelectric composite honeycombs with alternating bi-material beam: An active control method for elastic properties

This paper introduces 3D piezoelectric composite honeycombs (3D PCH) that exhibit voltage-dependent elastic properties. The 3D PCH consists of alternating bi-material beams. Under the condition of applied stress and voltage, the deformation of the 3D PCH depends on the bi-material beam under the effect of electromechanical coupling. The coupling effect enables active elastic properties of the structure by controlling the voltage and stress. Only the bending deformation of the bi-material beam is considered and the axial deformation of the beam is ignored. The proposed analytical approach and the closed-form expression for the equivalent elastic properties are obtained based on the Euler-Bernoulli beam theory. The theoretical results are verified by finite element simulations. The results show that the elastic properties of the 3D PCH are related to the bi-material beam and the geometric parameters. The voltage-dependent Young's modulus and strain can be regulated by adjusting the applied voltage. This work provides an approach to studying the elastic properties of these active bi-material structures.

Second order topology in a band engineered Chern insulator

Haldane model is a celebrated tight binding toy model of a Chern insulator in a 2D honeycomb lattice that exhibits quantized Hall conductance in the absence of an external magnetic field. In our work, we deform the bands of the Haldane model smoothly by varying one of its three nearest neighbour hopping amplitudes (t1\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$t_1$$\\end{document}), while keeping the other two (t) fixed. This breaks the C3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_3$$\\end{document} symmetry of the Hamiltonian, while the Mx∗T\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$M_x*T$$\\end{document} symmetry is preserved. The symmetry breaking causes the Dirac cones to shift from the K and the K′\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$'$$\\end{document} points in the Brillouin zone (BZ) to an intermediate M point. This is evident from the Berry curvature plots which show a similar shift in the corresponding values as a function of the deformation parameter, namely t1t\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\frac{t_1}{t}$$\\end{document}. We observe two different topological phases of which, one is a topological insulator (TI) and the other is a second order topological insulator (SOTI). The Chern number (C) remains perfectly quantized at a value of C=1\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C=1$$\\end{document} for the TI phase and it goes to zero in the SOTI phase. Furthermore, the evolution of the Wannier charge center (WCC) as the band is smoothly deformed shows a jump in the TI phase indicating the presence of conducting edge modes. We also study the SOTI phase and diagonalize the real space Hamiltonian on a rhombic supercell which shows the presence of in-gap zero energy corner modes. The polarization of the system, namely px\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$p_x$$\\end{document} and py\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$p_y$$\\end{document}, are evaluated, along the x and the y directions, respectively. We see that both px\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$p_x$$\\end{document} and py\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$p_y$$\\end{document} are quantized in the SOTI phase owing to the presence of the inversion symmetry of the system. Finally we establish the SOTI phase as an example of a topological phase with zero Berry curvature and provide an analogy with the two dimensional Su–Schrieffer–Heeger model.

VAM-based equivalent-homogenization model for 3D re-entrant auxetic honeycomb structures

The integration of two vertically crossed re-entrant honeycombs gives rise to a 3D re-entrant honeycomb (3D-RH), which displays intricate three-dimensional auxeticity. To simplify the modeling complexity, this study employs asymptotic analysis of the energy functional stored in the unit cell of the 3D-RH to develop unified constitutive models for 3D structures and panels with multiple length scales. Based on this, an equivalent 3D Cauchy continuum model is established for multi-layer 3D-RH, while a 2D equivalent plate model is developed for sandwich panel with single-layer 3D-RH (SP-3D-RH). The accuracy and effectiveness of these equivalent models are subsequently confirmed through investigations of the X-shaped compressive deformation of multi-layer 3D-RH, as well as the in-plane auxetic deformation and out-of-plane dome-shaped deformation of single-layer 3D-RH. Compared to traditional hexagonal and re-entrant honeycomb sandwich panels, the SP-3D-RH exhibited enhanced equivalent tensile stiffness while effectively mitigating maximum deformation and strain energy under bending and tension conditions. However, due to its relatively low equivalent shear stiffness, the SP-3D-RH exhibited significant deformation and strain energy when subjected to torsional loads, resulting in local stress concentration in the connect region between adjacent facesheets. Parameter analysis shows that the facesheet-to-strut thickness ratio had a substantial impact on the equivalent stiffness and in-plane behavior of the SP-3D-RH, while adjusting the horizontal strut length, strut depth, and re-entrant angle of the 3D-RH can improve the out-of-plane behavior.

Graphene & its applications as field effect transistors

Graphene, owing to its excellent physical, mechanical, and electrical properties, as well as its outstanding optoelectronic properties, has garnered significant attention. Consequently, it has opened numerous opportunities for various types of future devices and systems. Graphene, a one-atom-thick layer of carbon atoms forming a honeycomb 2D crystal lattice, stands out as one of the most promising candidates in the field of nano- and microelectronics. This review provides an introduction to graphene, detailing its properties and its applications, particularly focusing on its utilization in the realm of Field Effect Transistors (FETs). Specifically, an analytical device model of heterostructure-based FETs is presented, which essentially comprises an array of nano ribbons clad. The model for Graphene Nano Ribbon (GNR) FETs includes Poisson's equation and can be employed to calculate the current-voltage characteristics and spatial distribution of electric potential along the channel.

Enhancing Li+ recovery in brine mining: integrating next-gen emotional AI and explainable ML to predict adsorption energy in crown ether-based hierarchical nanomaterials.

Artificial intelligence (AI) is being employed in brine mining to enhance the extraction of lithium, vital for the manufacturing of lithium-ion batteries, through improved recovery efficiencies and the reduction of energy consumption. An innovative approach was proposed combining Emotional Neural Networks (ENN) and Random Forest (RF) algorithms to elucidate the adsorption energy (AE) (kcal mol-1) of Li+ ions by utilizing crown ether (CE)-incorporated honeycomb 2D nanomaterials. The screening and feature engineering analysis of honeycomb-patterned 2D materials and individual CE were conducted through Density Functional Theory (DFT) and Gaussian 16 simulations. The selected honeycomb-patterned 2D materials encompass graphene, silicene, and hexagonal boron nitride, while the specific CEs evaluated are 15-crown-5 and 18-crown-6. The crown-passivated 2D surfaces held a significant adsorption site through van der Waals forces for efficient recovery of Li+ ions. ENN predicted the targeted adsorption sites with high precision and minimal deviation. The eTAI (XAI) based Shapley Additive exPlanations (SHAP) was also explored for insight into the feature importance of CE embedded 2D nanomaterials for the recovery of Li+ ions. The extreme gradient boosting algorithm (XGBoost) model demonstrated a RT-2-MAPE = 0.4618% and ENN-2-MAPE = 0.4839% for the feature engineering analysis. This research would be an insight into the AI-driven nanotechnology that presents a viable and sustainable approach for the extraction of natural resources through the application of brine mining.

Polymeric carbon nitrides/3D honeycomb poly(ionic liquid)s photoreactor with improved photo-electric property for efficient wastewater treatment

Here we report a strategy to synthesize efficient polymeric carbon nitrides/3D honeycomb poly(ionic liquid)s photoreactor. The initial parent polymeric carbon nitrides (PCN) were synthesized by sintering precursor formed by self-assembling molecules of cyanuric acid and melamine. Ionic liquids with polymerizable groups polymerized in situ with crosslinkers in a system dispersed in PCN to synthesize a photoreactor. Impressively, the obtained photoreactors have structurally stable nanoparticle morphology in a dry state and a transparent 3D network structure in a swelling state. Their successful formation, swelling ability and morphology were fully characterized by XRD, WAXS, FT-IR, SEM, XPS, TEM and N2 adsorption/desorption isotherm. UV–vis DRS, PL spectra, and photocurrent tests showed the improved photo-electric property of the photoreactor, which was attributed to the 3D network honeycomb structure improving the contact between the active centres in the reactor and the reaction substrate and the improving electron-hole separation efficiency of PCN by excellent electron transfer ability of poly(ionic liquid)s. These synthesized photoreactors could highly efficiently degrade the anionic dyes, such as methyl orange and acid blue 93, under a metal halide lamp or even natural sunlight.

Γ-Graphyne: A Promising Electron Acceptor for Organic Photovoltaics

The most significant discovery of recent years is graphene, which consists of a single layer of sp2-hybrid carbon atoms arranged in a two-dimensional (2D) honeycomb lattice nanostructure.Graphynes – a two-dimensional materials similar to graphene, but composed of sp-hybridized carbons periodically integrated into a sp2-hybridized carbon network. Structure of graphynes were first theoretically proposed in 1987 by Baughman et al.[1] More than 20 years later, in 2010, Li et al. developed the first successful methodology for creating γ-graphdiyne films [2]. Despite the significant attention from the scientific community, only recently Hu et al. reported the synthesis of γ -graphyne with unified long-range crystalline structure [3].We demonstrate that γ -graphyne is an efficient electron acceptor due to its low LUMO and its ability to delocalize an excess charge. Moreover, in contrast to other 2D sheets like graphene its electronic properties are not sensitive to vacancy defects. Investigation of photoinduced electron transfer processes in complexes of γ -graphyne with typical electron-accepting and electron-donating partners shows that the lowest excited states with donors are charge separated states formed by the electron transfer from partner to γ -graphyne. This electron transfer is thermodynamically favorable and occurs on nano-to-picosecond time scale. In contrast, electron transfer from γ -graphyne to strong electron acceptors such as fullerenes or arylenediimides is unlikely [4].

Benzene-1,4-Di(dithiocarboxylate) Linker-Based Coordination Polymers of Mn2+, Zn2+, and Mixed-Valence Fe2+/3.

Three new coordination polymers (CPs) constructed from the linker 1,4-di(dithiocarboxylate) (BDDTC2-)─the sulfur-analog of 1,4-benzenedicarboxylate (BDC2-)─together with Mn-, Zn-, and Fe-based inorganic SBUs are reported with description of their structural and electronic properties. Single-crystal X-ray diffraction revealed structural diversity ranging from one-dimensional chains in [Mn(BDDTC)(DMF)2] (1) to two-dimensional (2D) honeycomb sheets observed for [Zn2(BDDTC)3][Zn(DMF)5(H2O)] (2). Gas adsorption experiments confirmed a 3D porous structure for the mixed-valent material [Fe2(BDDTC)2(OH)] (3). 3 contains a 1:1 ratio of Fe2+/3+ ions, as evidenced by 57Fe Mössbauer, X-band EPR, and X-ray absorption spectroscopy. Its empirical formula was established by elemental analysis, thermal gravimetric analysis, infrared vibrational spectroscopy, and X-ray absorption spectroscopy in lieu of elusive single-crystal X-ray diffraction data. In contrast to the Mn- and Zn-based compounds 1 and 2, the Fe2+/3+ CP 3 showed remarkably high electrical conductivity of 5 × 10-3 S cm-1 (according to van der Pauw measurements), which is within the range of semiconducting materials. Overall, our study confirms that sulfur derivatives of typical carboxylate linkers (e.g., BDC) are suitable for the construction of electrically conducting CPs, due to acceptedly higher covalency in metal-ligand bonding compared to the electrically insulating carboxylate CPs or metal-organic frameworks. At the same time, the direct comparison between insulating CPs 1 and 2 with CP 3 emphasizes that the electronic structure of the metal is likewise a crucial aspect to construct electrically conductive materials.