Low band gap

Organic photovoltaic cells are a promising technology for generating renewable energy from sunlight. These cells are made from organic materials, such as polymers or small molecules, and can be lightweight, flexible, and low-cost. Here, we have created a novel mixture of magnesium phthalocyanine (MgPc) and chlorophenyl ethyl diisoquinoline (Ch-diisoQ). A coating unit has been utilized in preparing MgPc, Ch-diisoQ, and MgPc-Ch-diisoQ films onto to FTO substrate. The MgPc-Ch-diisoQ film has a spherical and homogeneous surface morphology with a grain size of 15...

The scarcity of superhard materials with magnetism or a narrow band gap, despite their potential applications in various fields, makes it desirable to design such materials. Here, a series of C1+ x N1- x compounds are theoretically designed by replacing different numbers of nitrogen atoms with carbon atoms in the synthesized C1 N1 compound. The results indicate that the compounds C5 N3 and C7 N1 possess both superhardness and antiferromagnetic ordering due to the introduction of low-coordinated carbon atoms...

Topological phases in laterally confined low-dimensional nanographenes have emerged as versatile design tools that can imbue otherwise unremarkable materials with exotic band structures ranging from topological semiconductors and quantum dots to intrinsically metallic bands. The periodic boundary conditions that define the topology of a given lattice have thus far prevented the translation of this technology to the quasi-zero-dimensional (0D) domain of small molecular structures. Here, we describe the synthesis of a polycyclic aromatic hydrocarbon (PAH) featuring two localized zero modes (ZMs) formed by the topological junction interface between a trivial and nontrivial phase within a single molecule...

The oxidative coupling reaction of two Ni(II) porphyrins meso-substituted with three and four phenyl groups, Ni(II) 5,10,15-(triphenyl)porphyrin (NiPh3P) and Ni(II) 5,10,15,20-(tetraphenyl)porphyrin (NiPh4P) respectively, was investigated in a oxidative chemical vapor deposition (oCVD) process. Irrespective of the number of meso-substituents, high-resolution mass spectrometry evidences the formation of oligomeric species containing up to five porphyrin units. UV-Vis-NIR and XPS analyses of the oCVD films highlighted a strong dependence of the intermolecular coupling reaction with the substrate temperature...

Organic-inorganic hybrid iodide systems, which can form highly ordered chromophores and uniformly oriented transition dipole moments, serve as optimal host-guest systems for the fabrication of micrometer-scale optical devices. In particular, those with low-dimensional structures can exhibit strong quantum-limited and highly localized charges, enabling the generation of high exciton energies and stable excitation emission. In this study, we report a novel instance of an organic-inorganic hybrid iodate, (C13 H11 N2 )(IO3 ), which was synthesized by incorporating the optically active organic compound, 9-aminoacridine...

The development of high-performance biosensors is a key focus in the nanozyme field, but the current limitations in biocompatibility and recyclability hinder their broader applications. Herein, we address these challenges by constructing core-shell nanohybrids with biocompatible poly(ethylene glycol) (PEG) modification using a galvanic replacement reaction between orthovanadate ions and liquid metal (LM) (VO x @EGaIn-PEG). By leveraging the excellent charge transfer properties and the low band gap of the LM surface oxide, the VO x @EGaIn-PEG heterojunction can effectively convert hydrogen peroxide into hydroxyl radicals, demonstrating excellent peroxidase-like activity and stability ( K m = 490 μM, v max = 1...

Protective masks are critical to impeding microorganism transmission but can propagate infection via pathogen buildup and face touching. To reduce this liability, we integrated electrospun photocatalytic graphitic carbon nitride (g-C3 N4 ) nanoflakes into standard surgical masks to confer a self-sanitization capacity. By optimizing the purine/melamine precursor ratio during synthesis, we reduced the g-C3 N4 band gap from 2.92 to 2.05 eV, eliciting a 4× increase in sterilizing hydrogen peroxide production under visible light...

Myeloid leukemia is a chronic cancer, which associated with abnormal BCR-ABL tyrosine kinase activity. Imatinib (IMB) acts as a tyrosine kinase inhibitor and averts tumor growth in cancer cells by controlling cell division, so it is urgent to develop an effective assay to detect and monitor its IMB concentration. Therefore, an innovative fluorescent biomimetic sensor is a promising sensing material that constructed for the efficient recognition of IMB and displays excellent selectivity and sensitivity stemming from molecularly imprinted polymer@Fe3 O4 (MIP@Fe3 O4 )...

A Na4 MnV(PO4 )3 (NMVP) cathode is regarded as a promising cathode candidate for sodium-ion batteries (SIBs). However, issues such as low electronic conductivity and partial cation dissolution contribute to high polarization and structure distortion. Herein, we engineered the local electron density and reaction kinetic properties of NMVP cathodes with varying oxygen vacancies by introducing varying amounts of Zr doping and carbon coating. The optimized sample exhibited a high-rate capacity of 71.8 mAh g-1 at 30 C (83...

Unimolecular current rectifiers are fundamental building blocks in organic electronics. Rectifying behavior has been identified in numerous organic systems due to electron-hole asymmetries of orbital levels interfaced by a metal electrode. As a consequence, the rectifying ratio (RR) determining the diode efficiency remains fixed for a chosen molecule-metal interface. Here, we present a mechanically tunable molecular diode exhibiting an exceptionally large rectification ratio (>105 ) and reversible direction...

As a direct band gap semiconductor, perovskite has the advantages of high carrier mobility, long charge diffusion distance, high defect tolerance and low-cost solution preparation technology. Compared with traditional metal halide perovskites, which regulate energy band and luminescence by changing halogen, perovskite quantum dots (QDs) have a surface effect and quantum confinement effect. Based on the LaMer nucleation growth theory, we have synthesized CsPbBr3 QDs with high dimensional homogeneity by creating an environment rich in Br- ions based on the general thermal injection method...

Electric, dielectric, and optical (band gap) properties of pure multiferroic as well as La- and Ni-doped SrFe12O19 (SFO) (at different sites) are investigated using a microscopic model and Green's function technique. The concentration dependence of the polarization P is considered for substitution of rare earths ions on the Sr sites. For a small La ion doping concentration, x = 0.1, La-doped SFO is ferroelectric, whereas for a larger doping concentration, for example x = 0.5, it is antiferroelectric. The real part of the dielectric constant ϵ increases with an increasing magnetic field h ...

Inverted organic light-emitting devices (OLEDs) have been aggressively developed because of their superiorities such as their high stability, low driving voltage, and low drop of brightness in display applications. The injection of electrons is a critical issue in inverted OLEDs because the ITO cathode has an overly high work function in injecting electrons into the emission layer from the cathode. We synthesized hexagonal wurtzite ZnO nanoparticles using different oxidizing agents for an efficient injection of electrons in the inverted OLEDs...

Two-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal-insulator-metal (MIM) sandwiched structure, excellent switching performance, high-density capability, and low power consumption. In this work, using comprehensive material simulations and device modeling, the thinnest monolayer hexagonal boron nitride (h-BN) atomristor is studied by using a MIM configuration with Ta electrodes...

Bernal bilayer graphene (BLG) offers a highly flexible platform for tuning the band structure, featuring two distinct regimes. One is a tunable band gap induced by large displacement fields. Another is a gapless metallic band occurring at low fields, featuring rich fine structure consisting of four linearly dispersing Dirac cones and van Hove singularities. Even though BLG has been extensively studied experimentally, the evidence of this band structure is still elusive, likely due to insufficient energy resolution...

Two-dimensional conjugated metal-organic frameworks (2D c-MOFs) have garnered significant attention as promising electroactive materials for energy storage. However, their further applications have been hindered by low capacity, limited cycling life, and underutilization of the active sites. Herein, we introduce Cu-TBA (TBA = octahydroxyl tetrabenzoanthracene) with large conjugation units (narrow energy gap) and a unique rhombus topology as the cathode material for sodium-ion batteries (SIBs). Notably, Cu-TBA with a rhombus topology exhibits a high specific surface area (613 m2 g-1 ) and metallic band structure...

Photocatalytic disinfection is a promising technology with low cost and high efficiency. However, most of the current studies on photocatalytic disinfection ignore the widespread presence of natural organic matter (NOM) in water bodies, so the incomplete conclusions obtained may not be applicable. Herein, this paper systematically studied the influence of humic acid (HA), one of the most important components of NOM, on the photocatalytic inactivation of bacteriophage f2 with electrospinning Cu-TiO2 nanofibers...

Heat is an inexhaustible source of energy, and it can be exploited by thermoelectronics to produce electrical power or electrical responses. The search for a low-cost thermoelectric material that could achieve high efficiencies and can also be straightforwardly scalable has turned significant attention to the halide perovskite family. Here, we report the thermal voltage response of bismuth-based perovskite derivates and suggest a path to increase the electrical conductivity by applying chalcogenide doping. The films were produced by drop-casting or spin coating, and sulfur was introduced in the precursor solution using bismuth triethylxanthate...

The photocatalytic nitrogen reduction reaction (pNRR) is a clean technology that converts H2 O and N2 into NH3 under environmental conditions using inexhaustible sunlight. Herein, we designed a novel two-dimensional (2D) Janus TiSiGeN4 structure and evaluated the pNRR performance of the structure with the presence of nitrogen vacancies at different positions using density functional theory (DFT) calculations. The intrinsic dipoles in the Janus TiSiGeN4 structure generate a built-in electric field, which promotes the migration of photogenerated electrons and holes towards the (001) and (00-1) surfaces, respectively, to achieve efficient charge separation...

Large negative photoconductance (NPC) of SnO2 /TiO2 nanoparticles (NPs) heterostructure has been observed with thin film transistor (TFT) geometry and has been investigated using sub-bandgap light (blue) illumination. This negative photoconduction has been detected both in accumulation and depletion mode operation, which effectively reduces the carrier mobility ( μ ) of the TFT. Moreover, the threshold voltage ( V th ) widely shifted in the positive direction under illumination. The combined effects of the reduction of mobility and V th shifting led to a faster reduction of On (or Off) state current under illumination...