Electronic Behavior Research Articles

Recent perspective on polymeric Semimetal (Si, Ge and As) and nonmetal (N and P) doped C70-Fullerene system: Comparative electronic, dynamic behavior and chemotherapy docking with ADMET analysis

Fullerene system, based on carbon atoms, was studied and its structural modification was built with consideration of several elements such as Si, N, P, Ge, and As, where doped modified systems were constructed. Synthetic routes survey was considered to acquire the structures' availability in further applications related to structure properties investigation. The computational investigation of these designed systems was described using the most popular approach of density functional theory (DFT). Electronic behavior for all systems was studied especially through density of states (DOS) spectra, molecular electrostatic potential (MEP), and frontier molecular orbitals (FMOs) for best comparison towards stability with less energetic properties, where C-fullerene was predicted as a more stable candidate as its ∆E with value of 1.714 eV. Molecular dynamic simulation (MD) was considered to predict the stability of the atoms in the system during the physical movement at 100 ps. A polymeric model of triple Fullerene rings was linked for each Semimetal atom (Si, Ge, and As) to predict the radial distribution function (RDF) and dynamic behavior for stability conditions. The calculated energy parameters such as potential, kinetic, and non-bond energies mainly described the system movement stability during the simulation time. Molecular docking analysis of the modified doped systems was performed for chemotherapy prediction of the studied systems against breast cancer target protein (5NWH) to evaluate the inhibition strength through active sites binding affinity. The estimated binding affinity of Si-fullerene was found the most favorable result (-12.73 kcal/mol). ADMET properties were estimated for further drug-like prediction through comparative pharmacokinetic factors.

Dissolved organic matter-mediated adsorption behavior of benzophenones on functionalized covalent triazine frameworks

Adsorption is a highly efficacious technique for the remediation of organic micropollutants (OMPs). However, the presence of dissolved organic matter (DOM) frequently impedes adsorbent process, with insufficient attention given to this influence. This study systematically evaluates the adsorption performance of covalent triazine frameworks (CTFs) functionalized with electron-donating or electron-withdrawing groups for benzophenones (BPs). The adsorption capacities of SO3H-CTF, OH-CTF, and NH2-CTF for BPs were 512.11 μmol/g, 1356.27 μmol/g, and 1421.85 μmol/g, respectively. The adsorption mechanism is predominantly governed by π-π electron donor–acceptor (EDA) interactions, supplemented by hydrogen bonding, particularly in hydroxyl-containing BPs, with electrostatic interactions being relatively negligible. Functionalization with − OH and − NH2 groups increased the electron density in π-conjugated regions, enhancing BPs adsorption capacity, whereas − SO3H modification, due to its electron-withdrawing nature, acted as a π electron acceptor. Importantly, the mediating role of humic acid (HA) in the adsorption process was investigated. The CTF-BPs-HA ternary system can either inhibit/enhance π-π EDA interactions between π-electron donor/acceptor and BPs by adsorbing onto the CTF materials. The HA-mediated system primarily affects the film diffusion stage, with minimal impact on pore diffusion and inner surface adsorption. The oxygenated functional groups in HA slightly enhanced hydrogen bonding within the adsorption system, with negligible influence on electrostatic interactions. In the presence of HA, the overall adsorption capacity of SO3H-CTF decreased by 67.0 %, while that of OH-CTF and NH2-CTF increased by 120.9 % and 55.3 %, respectively. This study elucidates the electronic behavior modifications of functionalized CTFs during BPs adsorption and underscores the significant role of HA in interaction mechanisms, providing theoretical guidance for the design of advanced adsorbents to enhance pollutant removal efficiency.

Genetic Perspectives on Feed Event, Meal and Feed Efficiency Traits in Bos taurus indicus Beef Cattle.

Electronic feeders record feeding behaviour as feed events by tracking the animal's in-out visits to the feeder. Another way to measure feeding behaviour is based on meals. However, the two approaches provide different outcomes. The objectives of this study were to estimate genetic parameters (heritabilities and genetic and phenotypic correlations) for feed event and meal traits, and their genetic and phenotypic correlations with feed efficiency traits in Nellore cattle. The present study analysed six feed event traits (DMIFE: dry matter intake per feed event, FED: feed event duration, TBFE: time between feed events, FTd: feeding time per day, FEd: feed events per day, and FR: feeding rate), six meal traits (DMIME: DMI per meal, MED: meal duration, TBME: time between meals, MC: meal criterion, MTd: meal time per day, and MEd: meals per day), and three feed efficiency traits (ADG: average daily gain, DMI, and RFI: residual feed intake). The traits were measured in feed efficiency tests of Nellore cattle (age = 280 ± 41 days and body weight = 258 ± 47 kg at enrolment). The MC was calculated for each animal and ranged from 1.70 to 64.0 min, i.e., any pair of feed events separated by less than the MC value was considered part of the same meal. The heritabilities and correlations were estimated by fitting univariate and bivariate animal models, respectively, using single-step genomic BLUP. The highest heritabilities for feed event traits were 0.35 ± 0.06 (FED), 0.39 ± 0.06 (FTd), and 0.50 ± 0.05 (FTd), and for meal traits were 0.31 ± 0.06 (MED) and 0.45 ± 0.06 (MTd). The genetic correlation between feed event traits and meal traits were weak. FR, FED, and FTd had moderate genetic correlations with RFI (-0.56 ± 0.11, 0.44 ± 0.11, 0.60 ± 0.08, respectively). These results indicate that more efficient animals spent less time at the feeder per feed event and per day, and eat faster compared to less efficient animals. In conclusion, feed event and meal traits must be treated as distinct groups of traits since the genetic and phenotypic correlations were, in general, weak to moderate. Among feed event versus meal traits, feed event traits are more favourable to explain the genetic relationships of feeding behaviour with feed efficiency-related traits.

The incorporation of armchair and zigzag boron nitride nanoribbons in graphene monolayers: An examination of the structural, electronic, and magnetic properties

The opening of an energy gap and generating magnetism in graphene are certainly the most significant and urgent topics in your current research. The majority of proposed applications for it require the ability to modify its electronic structure and induce magnetism in it. Here, using first-principles calculations utilizing the PBE and HSE06 functionals, we examine the structural, energetic, electronic, magnetic, and phonon transport characteristics of armchair graphene and boron nitride nanoribbons (aGNRs and aBNNRs), and zigzag graphene and boron nitride nanoribbons (zGNRs and zBNNRs) with varying widths. We shall emphasize the impact of incorporating aBNNRs and zBNNRs of varying widths into graphene monolayers (GMLs). The findings suggest that zBNNRs are easier to insert into GMLs than aBNNRs. A study of the average formation energies of graphene and boron nitride nanoribbons reveals that BNNRs have a formation energy that is at least twenty times greater than GNRs. We have observed energy gaps that can be classified into three distinct families in aGNRs, aBNNRs, and aBNNRs inserted into GML. In the zGNRs and zBNNRs inserted in GML, depending on the width, different magnetic orderings (antiferromagnetic, ferrimagnetic, and ferromagnetic), and electronic behaviors are observed (metallic, semimetallic, semiconductor, and topological insulator).

Abnormal Relaxation Behavior of Excited Electrons in the Flat Band of Kagome Compound Nb3Cl8.

Carrier dynamics is crucial in semiconductors, and it determines their conductivity, response time, and overall functionality. In flat bands (FBs), carriers with high effective masses are predicted to host unconventional transport properties. The FBs usually overlap with other trivial energy bands, however, making it difficult to accurately distinguish their carrier dynamics. In this paper, we have investigated the flat-band carrier dynamics of excited electrons in Nb3Cl8, which hosts ideal nonoverlapping FBs near the Fermi level. The optical transition between Hubbard bands is abnormally weakened, exhibiting weak interband absorption and its related slow photoresponse with a time constant of ∼120 s, which are associated with flat-band Mottness-induced large electron effective mass and parity-forbidden transitions. Besides, the localized states created by chlorine vacancies also act as trapping centers for carriers with a time constant of ∼600 s, which are similar to those of the compact localized states of the FB, making the relaxation behavior even more extraordinary. The presence and impacts of atomic defects are confirmed experimentally and theoretically. This work has revealed the abnormal flat-band carrier dynamics of Nb3Cl8, which is essential for understanding the optical, electrical, and thermal transport properties of flat-band materials.

Electronic, optical, and thermoelectric behaviour of KCuX (X = S, Se, Te) monolayers.

In the past few decades, two-dimensional (2-D) materials gained huge deliberation due to their outstanding electronic and heat transport properties. These materials have effective applications in many areas such as photodetectors, battery electrodes, thermoelectrics, etc. In this work, we have calculated structural, electronic, optical, and thermoelectric properties of KCuX (X = S, Se, Te) monolayers (MLs) with the help of first-principles-based calculations and semi-classical Boltz- mann transport equation (BTE). The phonon dispersion calculations demonstrate the dynamical stability of the KCuX (X = S, Se, Te) MLs. Our results show that the monolayers of KCuX (X = S, Se, Te) are semiconductors with band gaps of 0.193 eV, 0.26 eV, and 1.001 eV respectively, and therefore they are suitable for photovoltaic applications. The optical analysis illustrates that the maximum absorption peaks of the KCuX (X = S, Se, Te) MLs are located in visible and ultraviolet (UV) regions, which may serve as a promising candidate for designing advanced optoelectronic devices. Furthermore, thermoelectric properties of the KCuS and KCuSe MLs, including See- beck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and figure of merit, are calculated at different temperatures 300 K, 600 K, and 800 K. Additionally, we also focus on the analysis of Gru ̈neisen parameter and various scattering rates to further explain their ultra-low thermal conductivity. Our results show that KCuS and KCuSe possess ultra-low lattice thermal conductivity value of 0.15 Wm-1K-1 and 0.06 Wm-1K-1 respectively, which is lower than those of recently reported KAgSe (0.26 Wm-1K-1 at 300 K) and TlCuSe (0.44 Wm-1K-1 at 300 K), indicating towards the large value of ZT. These materials are found to possess desirable thermoelectric and optical properties, making them suitable candidates for efficient thermoelectric and optoelectronic device applications.

Investigation of a new group of low band-gap semiconducting double perovskite K2MgSnZ6 (Z = Cl, Br, & I) materials and their structural, electronic, mechanical, and optical behaviors via DFT study

This study focuses on potassium based double perovskite materials, specifically a series of K2MgSnZ6 (Z = Cl, Br, & I) halide materials. For the investigated materials, all primary calculations were performed using the Full-Potential Linearized Augmented Plane-Wave (FP-LAPW) method, supported by density functional theory (DFT), and implemented in the WIEN2k code. The Gold-Schmidt tolerance factor values confirm the structural stability of the compounds, while the negative values of formation energy indicate the feasibility of experimental synthesis of the studied materials. The lattice constants were observed to increase as the halide element at the ‘Z’ position was replaced by one with a larger ionic radius. The recorded band-gap values were 2.60 eV, 2.00 eV, and 1.37 eV for K2MgSnCl6, K2MgSnBr6, and K2MgSnI6, respectively. After calculating the elastic constants for all K2MgSnZ6 (Z = Cl, Br, & I) materials, it was found that they satisfy the primary conditions for Born stability required for cubic-phase materials: (1) C11 > B > C12, (2) C11 + 2C12 > 0, (3) C11 > 0, (4) C44 > 0, and (5) C11–C12 > 0. The optical parameters of the K2MgSnZ6 (Z = Cl, Br, & I) double perovskite materials suggest that these materials could play a significant role in practical applications such as solar cells, UV detectors, and various optoelectronic devices.

Tailoring electronic structure and thermodynamic stability of (Al, In)-substituted GaAs: Ab-initio insights into bulk and (001) surfaces

Ab-initio calculations are conducted to investigate the structural properties, electronic structure, and thermodynamic stabilities of bulk and (001) surface systems of the GaAs semiconductor in its zinc-blende crystal phase. For the bulk case, we focus on the impact of substituting gallium atoms with M atoms (M = Al, In) at various concentrations (5.55 %, 11 %, and 22 %). We present the resulting structural parameters, along with the formation and substitutional energies associated with these substitutions. For surface systems, we explore indium (In) or aluminum (Al) substitutions at coverages of 0.25, 0.50, and 1.0 monolayers. This includes investigating the effects of substituting M atoms within the first atomic layer of the slabs. Ab-initio thermodynamic calculations reveal that high Al substitutions, in both bulk and surface, result in more favorable formation and surface energies. In contrast, In substitutions exhibit the opposite behavior, with increasing In content leading to less favorable energetics. Moreover, density of states analysis reveals that bulk systems maintained a semiconducting character, while all studied surface configurations exhibited a metallic electronic behavior. This study provides valuable insights into the influence of Al and In substitutions on the structural, electronic, and thermodynamic properties of GaAs, both in bulk and on the (001) surface.

Dynamic Jahn-Teller effect in the strong spin-orbit coupling regime

Exotic quantum phases, arising from a complex interplay of charge, spin, lattice and orbital degrees of freedom, are of immense interest to a wide research community. A well-known example of such an entangled behavior is the Jahn-Teller effect, where the lifting of orbital degeneracy proceeds through lattice distortions. Here we demonstrate that a highly-symmetrical 5d1 double perovskite Ba2MgReO6, comprising a 3D array of isolated ReO6 octahedra, represents a rare example of a dynamic Jahn-Teller system in the strong spin-orbit coupling regime. Thermodynamic and resonant inelastic x-ray scattering experiments, supported by quantum chemistry calculations, undoubtedly show that the Jahn-Teller instability leads to a ground-state doublet, resolving a long-standing puzzle in this family of compounds. The dynamic state of ReO6 octahedra persists down to the lowest temperatures, where a multipolar order sets in, allowing for investigations of the interplay between a dynamic JT effect and strongly correlated electron behavior.

Magnetic Prediction of Doped Two-Dimensional Nanomaterials Based on Swin–ResNet

Magnetism is an important property of doped two-dimensional nanostructures. By introducing dopant atoms or molecules, the electronic structure and magnetic behavior of the two-dimensional nanostructures can be altered. However, the complexity of the doping process requires different strategies for the preparation and testing of various types, layers, and scales of doped two-dimensional materials using traditional techniques. This process is resource-intensive, inefficient, and can pose safety risks when dealing with chemically unstable materials. Deep learning-based methods offer an effective solution to overcome these challenges and improve production efficiency. In this study, a deep learning-based method is proposed for predicting the magnetism of doped two-dimensional nanostructures. An image dataset was constructed for deep learning using a publicly available database of doped two-dimensional nanostructures. The ResNet model was enhanced by incorporating the Swin Transformer module, resulting in the Swin–ResNet network architecture. A comparative analysis was conducted with various deep learning models, including ResNet, Res2net, ResneXt, and Swin Transformer, to evaluate the performance of the optimized model in predicting the magnetism of doped two-dimensional nanostructures. The optimized model demonstrated significant improvements in magnetism prediction, with a best accuracy of 0.9.

Electronic Properties of ZnO Nanowires: A First-Principles Analysis Using Two-Probe Methodology

In this study, the electrical characteristics of pure ZnO nanowires are investigated using density functional theory (DFT) inside the non-equilibrium Green's function (NEGF) paradigm. We clarify the underlying electronic behaviours by a thorough analysis of I-V curves, density of states (DOS) spectra, and transmission spectra. All calculations are carefully carried out using the Quantum Wise Atomistic Tool Kit programme and the Generalised Gradient Approximation (GGA). Our results show that localised d orbitals dominantly contribute to ZnO nanowire transmission properties. We also investigate the effect of doping with copper on these characteristics. Gradual doping from pristine to 2 and 4 Cu atoms shows significant enhancements, indicating a clear relationship between electrical properties and doping concentration. Notably, the device's potential as a resistor is highlighted by the greater linearity of current with copper doping, demonstrating adherence to Ohm's law. Moving beyond basic research, we tackle real-world issues in sensing applications, including the quick identification of copper molecules in water. We provide light on the Au-ZnO-Au structure's potential for sensor applications by thoroughly discussing its electron transport properties. In conclusion, this study advances our knowledge of the electrical characteristics of ZnO nanowires and how doping modifies them, opening the door to their application in a variety of electronic and sensing devices.

The Global Characteristics of Electrons Near the Inner Edge of the Inner Radiation Belt

AbstractEnergetic electrons around the inner edge of the inner radiation belt (L1.3) have not been studied to the extent of the rest of the inner belt and certainly not to that of the outer radiation belt. Yet, the behavior of electrons at the inner edge of the inner belt could improve our understanding of important dynamics deep within Earth's magnetosphere. Previous work has analyzed these electrons during either isolated events or via significantly limited statistical studies, and it remains unclear what the particular drivers of electron flux enhancements in this region may be. Here, we present a broad statistical study of electrons around the inner edge of the inner radiation belt, utilizing the 7‐year data set of the MagEIS particle detectors aboard both Van Allen Probes spacecraft. Moreover, we separate electron flux measurements into stably trapped and quasi‐trapped electrons and directly compare their behavior. We find both populations to be variable in L and energy, as well as showing a clear magnetic local time (MLT) asymmetry. Potential drivers are also explored, where we demonstrate an association between increased electron fluxes in this region and heightened solar wind speed, Sym‐H, dynamic pressure, southward IMF and most prominently with the AU and AL indices.

Effect of Atomic Vacancy Defect in h – BN Monolayer on Electronic Properties: A DFT Study

Abstract h-BN is a 2D material which also has considerable development potential in several fields. 2D materials such as h-BN are basically insulating materials but have unique properties and it would be good if they could be developed, especially to meet future energy needs or in the development of electronic devices. Therefore, the properties of h-BN are certainly needed to support this, one of which is the magnetic properties of h-BN. In this research, we modified the h-BN structure by providing defects in the form of vacancy defects by removing atoms in the h-BN layer. We modeled a monolayer h-BN with a supercell size of 4 x 4 x 1, and our calculations were carried out with Quantum ESPRESSO, which is based on density functional theory. The results we obtained showed the emergence of magnetic moment values in h-BN due to defects in the form of atomic vacancies. Furthermore, this research successfully illustrates how vacancy defects in h-BN can modify the band structure, leading to changes in electron behavior around the Fermi energy level.

Intermolecular naphthylamine cyclization–based synthesis of bandgap-modulated carbon dots for multicolor light-emitting diodes

Owing to their tunable optical properties, N-doped carbon dots (CDs) have a broad scope of optoelectronic applications. However, the difficulty of precisely controlling nitrogen incorporation limits our understanding of its impact on CD electronic structure and emission behavior. To address this gap, N-doped CDs with tunable bandgaps are herein synthesized via the solvothermal carbonization of 1-naphthylamine in the presence of a controlled amount of nitric acid to obtain single-source emitters with two distinct emission wavelengths. The amount of nitric acid determines the extent of nitrogen incorporation through the intermolecular cyclization of 1-naphthylamine and, hence, the proportions of pyrrolic/pyridinic N-heterocycles (red emission, ∼600 nm) and polycyclic aromatic hydrocarbons (blue emission, ∼400 nm). For a practical utility demonstration, the prepared N-doped CDs are used to fabricate high-color-purity multicolor light-emitting diodes. By establishing a correlation between nitrogen incorporation modes and photophysical properties, this study paves the way for the rational design of advanced N-doped CDs for next-generation optoelectronic devices.

Flexoelectronics of a centrosymmetric semiconductor cylindrical nanoshell

Cylindrical shell-type semiconductors are essential for sensing and energy harvesting when integrated into surfaces of certain equipment, such as spacecraft, marine devices, and portable electronics, where mechanical forces play a significant impact on charge transport. Traditionally, such functionalities are only manifested in piezoelectric or pyroelectric crystals that possess non-centrosymmetry. Here, we theoretically investigate electronic behaviors driven by strain gradient-induced flexoelectric polarization in a centrosymmetric semiconductor cylindrical nanoshell, expanding the flexoelectronics in shell structures. The governing equations and accompanying boundary conditions are formulated simultaneously using the principle of virtual work and the fundamental lemma of the calculus of variation. Electromechanical interactions through static bending and forced vibration analyses of the newly developed model are systematically investigated. Under localized force excitation, the distribution of mobile charges is manipulated by tuning loading magnitudes and areas. The effects of doping levels on electric potentials and mobile charges are explored to show the interaction mechanism between flexoelectric and semiconducting properties. Moreover, the natural frequencies and modes of all mechanical displacements, electric potentials, and carrier concentration perturbations within the shell are identified. This paper provides a new approach for designing shell-shaped sensors and energy harvesters specifically for centrosymmetric semiconductors.

First-principles study of BC3 monolayer for sensing halomethanes: a computer aided investigation

This research used a method called DFT to study how CH3Br, CH3Cl, and CH3F halomethanes stick to boron carbide (BC3) nanosheets, with and without gallium and aluminum doping. Geometric optimisation was conducted for all structures using the B3LYP/6-311 + G (d) method. Furthermore, three different methods were employed to calculate the energy: M06-2X, ωB97X-D3, and CAM-B3LYP/6-311 + G(d). NBO and the QTAIM analysis was conducted to evaluate the WBI, partial natural charge, and donor–acceptor interactions within the molecules. The adsorption energy results showed that adding gallium to BC3 made it best at adsorbing stuff, while BC3 without any additives absorbed the least. However, CH3Cl stuck best to the aluminum-doped BC3 and least to the plain BC3 because it had less energy holding onto it. Also, CH3Br stuck to the nanosheet surfaces the most, while CH3Cl stuck the least. BC3(Ga)NS was discovered to be better at detecting halomethanes than BC3(Al)NS and BC3NS. Also, when the halomethanes were absorbed, the doped nanosheets experienced big changes in their electronic behaviour. The energy gaps for BC3NS, BC3(Al)NS, and BC3(Ga)NS were found to be 3.5%, 15.2%, and 13.6%, respectively. Gallium and aluminum mixed with BC3 seem good for making new sensors to detect halomethanes.

Study of Curie Temperature, Ferromagnetism, and thermoelectric properties BaCo2Z4 (Z = S, Se, Te) for spintronic and energy applications

Spintronics is an emerging technology that harnesses electron spin to speed up data transfer, manipulation, and storage. In our thorough examination of BaCo2Z4 (Z = S, Se, Te), we have probed into electronic behaviour, Curie temperature, ferromagnetism, and thermoelectric behaviour. Our optimization analysis underscored the superior energy release of ferromagnetic states over antiferromagnetic counterparts, a finding substantiated by formation energy. We calculated spin polarization and Curie temperature using the Heisenberg model, confirming that ferromagnetism is prevalent at temperatures higher than room temperature. Including hybridization, crystal field energy, states density, band structures, exchange constants and energies, and the double exchange model, the investigation examined the complex nature of ferromagnetism. Importantly, shifting the magnetic moment away from Co and toward Ba and S/Se/Te sites revealed that electron spin, not clustering of Co’s magnetic ions, is the fundamental property of ferromagnetism. We also investigated thermoelectric metrics such as the Seebeck coefficient, conductivities, and power factor for spin (↑) and spin (↓), which helped us to understand the complex role of electron spin at high temperatures and their role in energy harvesting applications.

Charge sign dependence of recurrent Forbush decreases in 2016–2017

Context. This study investigates the periodicities of galactic cosmic ray flux attributed to corotating interaction regions (CIRs) using Alpha Magnetic Spectrometer (AMS-02) data from late 2016 to early 2017. Aims. We determine the rigidity dependence of recurrent Forbush decrease (RFD) amplitudes induced by CIRs for different particles with a focus on charge sign. Methods. We carried out a frequency analysis using a Lomb-Scargle algorithm and superposed epoch analysis for all particles. For protons and helium, we compared the results with a single Forbush decrease (FD) analysis. Results. Our results reveal that the rigidity dependence of proton amplitudes attributed to the northern coronal hole is in qualitative agreement with previous findings. In contrast, the amplitudes attributed to the southern coronal hole show no rigidity dependence. Furthermore, the amplitude of the helium modulation exceeds that of protons, in line with the observation for long-term modulation. For positrons, statistical limitations stand in the way of any definitive conclusions. In comparison to the positively charged particles, the modulation behavior of electrons reveals a different pattern.

Negative photoconductance in NiO/B-rGO nanocomposite-based UV photodetector: Structural and Photoelectric properties

The manifestation of uncommon negative photoconductance (NPC) in semiconductor materials has recently emerged as a significant breakthrough in various research applications. Despite its potential, nickel oxide (NiO), a transition metal oxide, has not been extensively explored in optoelectronic applications. However, when combined with carbon materials such as graphene oxide (GO), NiO demonstrates considerable promise. Additionally, doping GO with acceptor atoms like boron can modify its electronic behavior and enhance its functionality. In this study, we present a straightforward synthesis and preparation method for NiO/B-rGO nanocomposite, followed by their integration into UV photodetector devices. We investigate their structural and morphological characteristics using various analytical techniques. Furthermore, electrical characterization via I–V curve analysis is conducted to assess their photoresponse and reveal their photoconductance behavior. The results highlight negative photoconductance (NPC) under UV photoexcitation compared to the dark case, with this behavior is attributed to the trapping and recombination processes of carriers, which is thoroughly discussed, and supported by electrical noise evaluation. Additionally, the performance of the NiO/B-rGO device demonstrates superior photoresponse, with a responsivity of 0.92 A/W and a detectivity of 1.38 × 101⁰ Jones at low reverse bias.

Unusual Geometric and Electronic Structures at Domain Boundaries in a Heterochiral Charge Density Wave Superlattice.

Domain boundaries (DBs) in charge density wave (CDW) systems not only are important for understanding the mechanism of how CDW interplays with other quantum phases but also have potential for future CDW-based nanodevices. However, current research on DBs in CDW materials has been mainly limited to those between homochiral CDW domains, whereas DBs between heterochiral CDW domains, especially in the atomic layers, remain largely unexplored. Here, we have studied the geometric and electronic states of heterochiral DBs in single-layer and bilayer 1T-NbSe2 using scanning tunneling microscopy/spectroscopy. We observe the existence of diverse CDW configurations in a single heterochiral CDW DB with atomic resolution and reveal the corresponding electronic states. In addition, interlayer stacking further enriches the electronic properties of the DB. Our results offer deep insights into the relationship between the detailed CDW nanostructures and electronic behaviors, which has significant implications for DB engineering in strongly correlated CDW systems and related nanodevices.