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Collagen is the most abundant structural protein in mammals. Type I collagen in its fibril form has a characteristic pattern structure that alternates two regions called gap and overlap. The structure and properties of collagens are highly dependent on the water and mineral content of the environment. Here, we apply 3D AFM to characterize at angstrom-scale resolution the interfacial water structure of collagen nanoribbons. For a neutral tip, the interfacial water structure is characterized by the oscillation of the water particle density distribution with a value of 0.3 nm (hydration layers). The interfacial structure does not depend on the collagen region. For a negatively charged tip, the interfacial structure might depend on the collagen region. Hydration layers are observed in overlap regions, while in gap regions, the interfacial solvent structure is dominated by electrostatic interactions. These interactions generate interlayer distances of 0.2 nm. [ABSTRACT FROM AUTHOR]

Mexican-hat-shaped quartic dispersion manifests itself in certain families of single-layer two-dimensional hexagonal crystals such as compounds of groups III–VI and groups IV–V as well as elemental crystals of group V. A quartic band forms the valence band edge in various of these structures, and some of the experimentally confirmed structures are GaS, GaSe, InSe, SnSb, and blue phosphorene. Here, we numerically investigate strictly one-dimensional and quasi-one dimensional (Q1D) systems with quartic dispersion and systematically study the effects of Anderson disorder on their transport properties with the help of a minimal tight-binding model and Landauer formalism. We compare the analytical expression for the scaling function with simulation data to distinguish the domains of diffusion and localization regimes. In one dimension, it is shown that conductance drops dramatically at the quartic band edge compared to the quadratic case. As for the Q1D nanoribbons, a set of singularities emerge close to the band edge, suppressing conductance and leading to short mean-free-paths and localization lengths. Interestingly, wider nanoribbons can have shorter mean-free-paths because of denser singularities. However, the localization lengths sometimes follow different trends. Our results display the peculiar effects of quartic dispersion on transport in disordered systems. [ABSTRACT FROM AUTHOR]

The sluggish oxygen evolution reaction (OER) in overall electrocatalytic water splitting poses a significant challenge in hydrogen production. A series of transition metal phosphides are emerging as promising electrocatalysts, effectively modulating the charge distribution of surrounding atoms for OER. In this study, a highly efficient OER electrocatalyst (CoP-CNR-CNT) was successfully synthesized through the pyrolysis and phosphatization of a Co-doped In-based coordination polymer, specifically InOF-25. This process resulted in evenly dispersed CoP nanoparticles encapsulated in coordination polymer-derived carbon nanoribbons. The synthesized CoP-CNR-CNT demonstrated a competitive OER activity with a smaller overpotential (η10) of 295.7 mV at 10 mA cm-2 and a satisfactory long-term stability compared to the state-of-the-art RuO2 (η10 = 353.7 mV). The high OER activity and stability can be attributed to the high conductivity of the carbon network, the abundance of CoP particles, and the intricate nanostructure of nanoribbons/nanotubes. This work provides valuable insights into the rational design and facile preparation of efficient non-precious metal-based OER electrocatalysts from inorganic–organic coordination polymers, with potential applications in various energy conversion and storage systems. [ABSTRACT FROM AUTHOR]

We present an atomistic simulation of thermoelectric properties in cove-edged graphene nanoribbons (CGNRs) via the nonequilibrium Green's function. Different from gapless zigzag graphene nanoribbons (ZGNRs), CGNRs exhibit a noticeable bandgap. Such a bandgap can be modulated by varying three structural parameters (namely, the width N, the distance between adjacent coves m, as well as the shortest offset n) of CGNRs, which can give rise to the transition from semiconducting to semi-metallic. Due to the less dispersive phonon bands and the decrease in the number of phonon channels of CGNRs, they are found to have the lower phonon thermal conductance than ZGNRs. Modulation of CGNRs can produce over tenfold improvement of the maximum of ZT compared to ZGNRs. This improvement is due to the promotion of the Seebeck coefficient together with the degradation of the phonon thermal conductance of CGNRs compared to ZGNRs. [ABSTRACT FROM AUTHOR]

Low-dimensional materials with topologically protected edge states have wide applications in spintronic, valleytronic, and optoelectronic nanodevices. Different from the valley-resolved quantum anomalous Hall (VQAH) state and spin-polarized quantum anomalous Hall (VSQAH), the photon-induced topological states in kagome-lattice nanoribbons (KLNR) can generate both valley and spin-polarized edge states without magnetic substrate or Rashba spin-orbit coupling (SOC). Via the Floquet theory, we also propose a 0-photon-extraction scheme to obtain the effective Hamiltonian under low-frequency light for the first time, and we analyze the topological properties and phase transition of the irradiated kagome system, similar with those in the high-frequency case. We then design an all-optically controlled valley-resolved spin filter based on KLNR. Transmissions and local current distributions of the proposed nanodevice confirm this spin-filter effect, which can indeed be switched by left- or right-circularly-polarized (LCP/RCP) light. We believe these optically controlled models can be extended to the design of magnetism-free spin-valley filter or switcher in the future. [ABSTRACT FROM AUTHOR]

Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of organic/organometallic molecules encapsulated in carbon nanotubes. The result of the process depends on the temperature, the diameter of the nanotube, and the type and amount of material introduced inside the tube. Nanoribbons are particularly promising materials for nanoelectronics. Motivated by recent experimental results observing the formation of carbon nanoribbons inside carbon nanotubes, molecular dynamics calculations were performed with the open source LAMMPS code to investigate the reactions between carbon atoms confined within a single-walled carbon nanotube. Our results show that the interatomic potentials behave differently in quasi-one-dimensional simulations of nanotube-confined space than in three-dimensional simulations. In particular, the Tersoff potential performs better than the widely used Reactive Force Field potential in describing the formation of carbon nanoribbons inside nanotubes. We also found a temperature window where the nanoribbons were formed with the fewest defects, i.e., with the largest flatness and the most hexagons, which is in agreement with the experimental temperature range. [ABSTRACT FROM AUTHOR]

The unique edge states of the zigzag β-SiC7 nanoribbons aroused our attention, and therefore, based on first-principles calculations, we investigated their spin-dependent electronic transport properties by constructing controllable defects to modulate these special edge states. Interestingly, by introducing rectangular edge defects in the SiSi and SiC edge-terminated systems, not only the spin-unpolarized is successfully converted to completely spin-polarized, but also the direction of polarization can be switched, thus enabling a dual spin filter. The analyses further reveal that the two transmission channels with opposite spins are spatially separated and that the transmission eigenstates are highly concentrated at the relative edges. The specific edge defect introduced only suppresses the transmission channel at the same edge but reserves the transmission channel at the other edge. In addition, for the CSi and CC edge-terminated systems, an additional spin-down band exists due to spin splitting in the spin-up band at EF, so that besides the original spatially separated two spin-opposite channels, an extra spin channel is distributed at the upper edge, resulting in unidirectional fully spin-polarized transport. The peculiar spatially separated edge states and excellent spin filtering properties could open up further possibilities for β-SiC7-based electronic devices in spintronics applications. [ABSTRACT FROM AUTHOR]

Borophenes have sparked considerable interest owing to their fascinating physical characteristics and diverse polymorphism. However, borophene nanoribbons (BNRs) with widths less than 2 nm have not been achieved. Herein, we report the experimental realization of supernarrow BNRs. Combining scanning tunneling microscopy imaging with density functional theory modeling and ab initio molecular dynamics simulations, we demonstrate that, under the applied growth conditions, boron atoms can penetrate the outermost layer of Au(111) and form BNRs composed of a pair of zigzag (2,2) boron rows. The BNRs have a width self‐contained to ∼1 nm and dipoles at the edges to keep them separated. They are embedded in the outermost Au layer and shielded on top by the evacuated Au atoms, free of the need for post‐passivation. Scanning tunneling spectroscopy reveals distinct edge states, primarily attributed to the localized spin at the BNRs' zigzag edges. This work adds a new member to the boron material family and introduces a new physical feature to borophenes. [ABSTRACT FROM AUTHOR]

The photovoltaic devices offer promising eco‐friendly solution for self‐powered flexible electronics. However, their fabrication on flexible substrate is not easy due to mismatches between the requirements of conventional microfabrication and the thermal, and mechanical features of the substrates. Herein, direct roll printed nanoscale photoactive electronic layers are presented, which are further processed to develop ≈315 µm2 sized miniaturized photovoltaic microcells. Using a set of 32 microcells, connected in parallel configuration, indoor light harvesting is shown at a maximum power density of ≈10 µW cm−2 under white LED illumination. Further, the dual functionality of developed microcells i.e., energy harvesting as well as wideband photodetection is demonstrated. As self‐powered photo sensors the developed photovoltaic microcells exhibit distinctive photo responses under white LED‐UV (365 nm)‐ NIR (850 nm) light illumination, with exceptionally high‐speed response (rise time τRise = 205 µs and fall time τFall = 2000 µs), and a peak responsivity of 2.48 A W−1 to UV light at zero bias voltage. The presented results show the potential usage of printed multifunctional photovoltaic microcells in a wide variety of applications such as self‐powered wearable and flexible electronic systems for health monitoring and indoor robotics. [ABSTRACT FROM AUTHOR]

Binary antimonene-phosphorene, a novel 2D semiconductor material, shows potential applications in gas sensing due to its favorable properties. In this work, the sensing properties of binary antimonene-phosphorene nanoribbons by varying the phosphorus mole fraction for the adsorption of NO, CO, NO2, CO2, SO2, SO3, H2S, NH3, O2, and N2 gas molecules are theoretically investigated with first-principles method based on the density function theory. The adsorption distance, adsorption energy, charge transfer, work function, and recovery time of gas molecules adsorbed on the different substrates of phosphorus mole fraction are calculated and compared to evaluate the sensing performance of these structures. The results demonstrate that all the examined gas molecules form stable physisorption with binary nanoribbons (except O2 molecule). Through the analysis of adsorption energy and charge transfer, it can be seen that binary nanoribbons with mole fractions of 25 and 75% have higher selectivity and sensitivity to gas molecules. For example, the charge transfer results show that there is more charge transfer from SO3 (0.456 e) and O2 (0.4 e) gas molecules to 25 and 75% phosphorus substrates than other substrates of mole fraction, respectively. Moreover, for a better comparison, the I–V characteristics of different phosphorus mole fraction are calculated for SO3 and O2 gases. The calculated current–voltage curves confirm the charge transfer results. As a result, our theoretical studies show that binary nanoribbons with some mole fractions can offer promising platform for gas sensing applications. [ABSTRACT FROM AUTHOR]

The photochemical cyclodehydrochlorination (CDHC) reaction has recently been used to prepare a wide variety of polycyclic aromatic hydrocarbons and graphene nanoribbons (GNRs). However, the parameters affecting the efficiency of this reaction have been scarcely studied. In this work, we investigated how the reaction conditions influence the outcome of the reaction. The effect of functional groups on the different phenyl rings of the o‐terphenyl scaffold was also studied. The reaction kinetics follow the same trend as Hammett's constant when electron‐donating and electron‐withdrawing groups are present on the ring bearing the chlorine. The CDHC reaction can be successfully performed using less energetic 365 nm light in the presence of a triplet sensitizer. Computational results provide insight on the reaction mechanism, notably by identifying its three intermediate structures as well as its limiting step. [ABSTRACT FROM AUTHOR]

In this study, we introduce a comprehensive investigation into the buckling behavior of carbon nanotubes (CNTs) using a combined approach of quantum mechanics and molecular mechanics methods. A novel aspect of our research lies in the exploration of the quantum effects of fine scaling on the buckling behavior of finite‐length nanotubes across various dimensions and chiralities. Specifically, we analyze the critical buckling strain variations in CNTs with distinct lengths, diameters, and chiralities, revealing pronounced differences influenced by atomic arrangement and the type of structure used in nanotube construction. Our findings elucidate that at smaller dimensions, nn2$$ \left(\ n,\frac{n}{2}\right) $$ nanotubes exhibit a higher critical buckling strain than other chiralities, while zigzag atomic arrangements demonstrate greater resistance to torsional loading at larger diameters. Additionally, we compare the buckling behavior of nanotubes obtained by wrapping armchair and zigzag nanosheets, highlighting differential resistance trends. This research not only underscores the critical role of quantum effects in determining nanotube buckling but also provides valuable insights into the nuanced influences of atomic arrangement and nanosheet type on the mechanical properties of CNTs. Thus, our work contributes a novel perspective to the field, bridging the gap between quantum mechanics and the mechanical behavior of nanostructures, which has significant implications for the design and application of nanoscale materials [ABSTRACT FROM AUTHOR]

Metalloborophene, characterized by the presence of metal‐centered boron wheels denoted as M©Bn, has garnered considerable attention in recent years due to its versatile properties and potential applications in fields such as electronics, spintronics, and catalysis. However, the experimental verification of metalloborophene is challenging, mainly due to the unconventional 2D boron networks. In this study, scanning tunneling microscopy, X‐ray photoelectron spectroscopy, low energy electron diffraction, and first‐principles calculations are employed to unveil Cu©B8 metalloborophene nanoribbons formed via spontaneous alloying after the deposition of boron on a heated Cu(110) substrate under ultrahigh vacuum condition. The thermodynamically preferred precursor, the anchoring of boron network to metal atoms, and anisotropic lattice mismatch are identified as pivotal factors in the formation of these metalloborophene nanoribbons. This discovery expands the repertoire of 2D materials and offers a potential pathway for the synthesis of other metalloborophenes. [ABSTRACT FROM AUTHOR]

Nanoribbons of imidacloprid, a systemic and chloronicotinyl insecticide, were successfully synthesized by laser-induced fragmentation/exfoliation of imidacloprid powders suspended in water, with widths ranging from 160 to 470 nm, lengths in the micron scale, and thickness of a few atoms layers. The aim of the present study was to examine the effects of acute and chronic exposure to imidacloprid (IMC) bulk and compare its effects with synthesized imidacloprid nanoribbons (IMCNR) on larval and adult viability, developmental time, olfactory capacity, longevity, productivity, and genotoxicity in Drosophila melanogaster. Larvae or adults were exposed at 0.01, 0.02, or 0.03 ppm to IMC or IMCNR. Results demonstrated that IMCNR produced a significant reduction in viability and olfactory ability. IMC did not significantly alter viability and olfactory ability. Similarly, marked differences on longevity were detected between treatment with IMC and IMCNR where the lifespan of males treated with IMC was significantly higher than control while IMCNR produced a reduction. As for productivity, developmental time, and genotoxicity, no marked differences were found between both forms of IMC. [ABSTRACT FROM AUTHOR]

Polyurethane/graphene composites have attracted significant attention featuring their wide applications in automotive interiors, coatings, and leather parts to bioengineering. This research focuses on the facile synthesis of biobased polyurethane (PU) by employing sunflower oil as a renewable resource. The synthesized biobased PU was reinforced with graphene nanoplatelets (GNP) and graphene nanoribbons (GNR) to fabricate composite films by solution-casting technique. By changing the filler content (0.01-0.05 wt%), a series of composite films were prepared. The addition of graphene derivatives to the PU matrix improved the mechanical, thermal, and surface properties of the composites compared to the pristine PU film. The incorporation of GNR and GNP fillers enhanced the storage modulus of polymeric film, as for neat PU, was noted maximum at 892 MPa which increased and noticed a maximum of 1121 MPa and 1487 MPa for 0.02 wt % GNP/PU and GNR/PU composite films, respectively. The tensile strength was obtained at 35 MPa and 14 MPa for 0.02 wt % GNP/PU and 0.01 wt % GNR/PU, as compared to 9.45 MPa for the pure PU film. The morphological studies by atomic force microscopy showed a good distribution of GNR and GNP fillers within the polyurethane matrix. The GNP/PU and GNR/PU composite films displayed excellent chemical resistance to different solvents. This work put forward a great utilization of renewable sunflower oil and graphene derivatives to fabricate PU composites with improved properties for potential applications. [ABSTRACT FROM AUTHOR]

The electronic structure of 7/9-AGNR superlattices with up to eight unit cells has been studied by means of state-of-the-art Density Functional Theory (DFT) and also by two model Hamiltonians, the first one including only local interactions (Hubbard model, Hu) while the second one is extended to allow long-range Coulomb interactions (Pariser, Parr and Pople model, PPP). Both are solved within mean field approximation. At this approximation level, our calculations show that 7/9 interfaces are better described by spin non-polarized solutions than by spin-polarized wavefunctions. Consequently, both Hu and PPP Hamiltonians lead to electronic structures characterized by a gap at the Fermi level that diminishes as the size of the system increases. DFT results show similar trends although a detailed analysis of the density of states around the Fermi level shows quantitative differences with both Hu and PPP models. Before improving model Hamiltonians, we interpret the electronic structure obtained by DFT in terms of bands of topological states: topological states localized at the system edges and extended bulk topological states that interact between them due to the long-range Coulomb terms of Hamiltonian. After careful analysis of the interaction among topological states, we find that the discrepancy between ab initio and model Hamiltonians can be resolved considering a screened long-range interaction that is implemented by adding an exponential cutoff to the interaction term of the PPP model. In this way, an adjusted cutoff distance λ = 2 allows a good recovery of DFT results. In view of this, we conclude that the correct description of the density of states around the Fermi level (Dirac point) needs the inclusion of long-range interactions well beyond the Hubbard model but not completely unscreened as is the case for the PPP model. [ABSTRACT FROM AUTHOR]

This study delves into the thermoelectric properties of armchair black phosphorene nanoribbons while considering the presence of line edge roughness. Employing the tight‐binding method in conjunction with non‐equilibrium Green's function techniques and Landauer formulas, the impact of various parameters on thermoelectric performance is explored. These findings reveal that the electrical conductivity and, consequently, the power factor exhibits an increasing trend with expanding ribbon length and width. This behavior can be attributed to heightened collision rates, particularly in narrow ribbons, induced by line edge roughness as length increases. Remarkably, the Seebeck coefficient at the Fermi energy corresponding to the maximum power factor remains nearly constant across different widths, lengths, temperatures, and transport regimes. Furthermore, the thermoelectric figure of merit (ZT) demonstrates a positive correlation with both ribbon length and width. In narrow widths and lengths ≈1000 nm, the power factor and figure of merit exhibit an upward trend with ribbon width. However, with further increases in ribbon width, the influence of line edge roughness on thermal conductivity diminishes. Consequently, the figure of merit decreases due to the rise in thermal conductivity. Notably, the thermoelectric figure of merit is higher for short and narrow ribbons and long and wider ribbons. [ABSTRACT FROM AUTHOR]

Recent studies dedicated to layered van der Waals crystals have attracted significant attention to magnetic atomically thin crystals offering unprecedented opportunities for applications in innovative magnetoelectric, magneto‐optic, and spintronic devices. The active search for original platforms for the low‐dimensional magnetism study has emphasized the entirely new magnetic properties of two dimensional (2D) semiconductor CrSBr. Herein, for the first time, the electrochemical exfoliation of bulk CrSBr in a non‐aqueous environment is demonstrated. Notably, crystal cleavage governed by the structural anisotropy occurred along two directions forming atomically thin and few‐layered nanoribbons. The exfoliated material possesses an orthorhombic crystalline structure and strong optical anisotropy, showing the polarization dependencies of Raman signals. The antiferromagnetism exhibited by multilayered CrSBr gives precedence to ferromagnetic ordering in the revealed CrSBr nanostructures. Furthermore, the potential application of CrSBr nanoribbons is pioneered for electrochemical photodetector fabrication and demonstrates its responsivity up to 30 µA cm−2 in the visible spectrum. Moreover, the CrSBr‐based anode for lithium‐ion batteries exhibited high performance and self‐improving abilities. This anticipates that the results will pave the way toward the future study of CrSBr and practical applications in magneto‐ and optoelectronics. [ABSTRACT FROM AUTHOR]

When modeling heat transfer in nanoribbons, an unusually sharp dependence of the heat flux, and, consequently, the thermal conductivity coefficient, on the degree of specularity of phonon reflection from the lateral boundaries was found. From numerical calculations, it followed that the addition of minimally diffuse scattering should lead to an abrupt increase in the thermal resistance of the conductor. Given the importance of selecting optimal thermal parameters in nanotechnology, this short paper provides an analysis of the found dependencies, discusses the physical reasons for this anomalous behavior, and draws conclusions about the importance of achieving the quality of the nanoconductor interface to create thermal contacts with a given or optimal thermal conductivity. [ABSTRACT FROM AUTHOR]

This study outlines an effective method for improving the electrochemical properties of MoO 3 by tuning the electronic spin state of Mo via Ni doping, which can enhance its reactivity and weaken the diffusion energy barrier between Zn2+ and MoO 3. [Display omitted] • The electron spin states of Mo are modulated via Ni-ion doping. • The storage mechanism of this electron spin states tuning strategy is clarified. • The assembled Ni-MoO 3 //Zn can afford a high capacity of 258 mAh g −1 at 1 A/g. Aqueous zinc-ion batteries (AZIBs) have received considerable potential for their affordability and high reliability. Among potential cathodes, α-MoO 3 stands out due to its layered structure aligned with the (0 1 0) plane, offering extensive ionic insertion channels for enhanced charge storage. However, its limited electrochemical activity and poor Zn2+ transport kinetics present significant challenges for its deployment in energy storage devices. To overcome these limitations, we introduce a new strategy by doping α-MoO 3 with Ni (Ni-MoO 3), tuning the electron spin states of Mo. Thus modification can activate the reactivity of Ni-MoO 3 towards Zn2+ storage and weaken the interaction between Ni-MoO 3 and intercalated Zn2+, thereby accelerating the Zn2+ transport and storage. Consequently, the electrochemical properties of Ni-MoO 3 significantly surpass those of pure MoO 3 , demonstrating a specific capacity of 258 mAh g−1 at 1 A g−1 and outstanding rate performance (120 mAh g−1 at 10 A g−1). After 1000 cycles at 8 A g−1, it retains 76 % of the initial capacity, with an energy density of 154.4 Wh kg−1 and a power density of 11.2 kW kg−1. This work proves that the modulation of electron spin states in cathode materials via metal ion doping can effectively boost their capacity and cycling durability. [ABSTRACT FROM AUTHOR]

Thermal rectifiers are essential in optimizing heat dissipation in solid-state devices to enhance energy efficiency, reliability, and overall performance. In this study, we experimentally investigate the thermal rectification phenomenon in suspended asymmetric graphene ribbons (GRs). The asymmetry within the graphene is introduced by incorporating periodic parallel nanoribbons on one side of the GR while maintaining the other side in a pristine form. Our findings reveal a substantial thermal rectification effect in these asymmetric graphene devices, reaching up to 45% at room temperature and increasing further at lower environmental temperatures. This effect is attributed to a significant thermal conductivity contrast between pristine graphene and nanoribbon graphene within the asymmetric structure. We observe that the incorporation of nanoribbons leads to a notable reduction in thermal conductivity, primarily due to phonon scattering and bottleneck effects near the nanoribbon edges. These findings suggest that graphene structures exhibiting asymmetry, facilitated by parallel nanoribbons, hold promise for effective heat management at the nanoscale level and the development of practical phononic devices. [ABSTRACT FROM AUTHOR]

Nanoscale analysis of magnetic properties of graphene nanoribbons (GNRs) conjugated with magnetic nanoparticles has been studied in this work. The effect of varying concentrations of Fe 3 O 4 and Ni nanoparticles on the magnetic domain structure of GNRs has been investigated using magnetic force microscopy (MFM). A variable external magnetic field was applied to the samples, and an evident variation in the domain structure with a change in the magnetic field was observed. It was found that magnetic properties and the imaged magnetic domain structure are influenced by the concentration of magnetic nanoparticles conjugated with GNRs. The vibrating sample magnetometry (VSM) studies support the nano-domain studies done using MFM such that the trend observed for the saturation magnetization obtained from vibrating sample magnetometry (VSM) matches that of the phase difference obtained using MFM. [ABSTRACT FROM AUTHOR]

Ultrathin and two-dimensional (2D) metals can support strong plasmons, with concomitant tight field confinement and large field enhancement. Accordingly, 2D-metal nanostructures exhibiting plasmonic resonances are highly sensitive to the environment and intrinsically suitable for optical sensing. Here, based on a proof-of-concept numerical study, nano-engineered ultrathin 2D-metal films that support infrared plasmons are demonstrated to enable highly responsive refractive index (RI) sensing. For 3 nm-Au nanoribbons exhibiting plasmonic resonances at wavelengths around 1600 nm, a RI sensitivity of SRI > 650 nm per refractive index unit (RIU) is observed for a 100 nm-thick analyte layer. A parametric study of the 2D-Au system indicates the strong dependence of the RI sensitivity on the 2D-metal thickness. Furthermore, for an analyte layer as thin as 1 nm, a RI sensitivity up to 110 (90 nm/RIU) is observed in atomically thin 2D-In (2D-Ga) nanoribbons exhibiting highly localized plasmonic resonances at mid-infrared wavelengths. Our results not only reveal the extraordinary sensing characteristics of 2D-metal systems but also provide insight into the development of 2D-metal-based plasmonic devices for enhanced IR detection. [ABSTRACT FROM AUTHOR]

The effects of a finite temperature on the equilibrium structures of hydrocarbon molecules are computationally explored as a function of size and relative chemical composition in hydrogen and carbon. Using parallel tempering Monte Carlo simulations employing a reactive force field, we find that in addition to the phases already known for pure carbon, namely, cages, flakes, rings, and branched structures, strong changes due to temperature and the addition of little amounts of hydrogen are reported. Both entropy and the addition of moderate amounts of hydrogen favor planar structures such as nanoribbons over fullerenes. Accurate phase diagrams are proposed, highlighting the possible presence of multiple phase changes at finite size and composition. Astrophysical implications are also discussed. [ABSTRACT FROM AUTHOR]

Area‐selective deposition (ASD) is a forefront nanopatterning technique gaining substantial attention in the semiconductor industry. While current research primarily addresses single‐material ASD, exploring multi‐material ASD is essential for mitigating complexity in advanced nanopatterning. This study describes molybdenum hexafluoride (MoF6)‐mediated fluorination/passivation of the hydroxylated SiO2 (SiO2‒OH) at 250 °C as a new method to pacify nucleation during subsequent ZnO and TiO2 atomic layer deposition (ALD). In contrast, Al2O3 ALD is not passivated on the fluorinated SiO2 (SiO2‒F). The study further shows that Mo ALD using MoF6 and silane (1 wt% SiH4 in Ar) selectively proceeds on hydrogen‐terminated Si (Si‒H), whereas SiO2‒OH becomes fluorine‐passivated without observable Mo deposition. This enables subsequent ZnO and TiO2 ASD on Mo versus SiO2‒F, as confirmed by X‐ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and scanning transmission electron microscopy (STEM). Proposed growth and inhibition mechanisms highlight the importance of the metal oxide precursor in achieving selectivity. Taken together, self‐aligned Mo/ZnO and Mo/TiO2 nanoribbons are demonstrated on coplanar nanoscale Si‒H/SiO2‒OH patterns by sequentially integrating two individual ASD processes: 1) Mo ASD on Si‒H versus SiO2‒OH; and 2) ZnO or TiO2 ASD on Mo versus SiO2‒F. This work highlights the potential for this approach in new ASD systems. [ABSTRACT FROM AUTHOR]

Flexible wearable electronics enable an in situ and real‐time measurement of human physiology and micro‐environment. Although large‐scale production of flexible wearable electronics is demonstrated using direct printing techniques, the "wet" nature of these techniques requires multiple procedures and chemicals to prepare printable inks, increasing the complexity and cost. Here, a dry‐wet hybrid direct printing is developed for the mass production of flexible wearable photodetectors, in which a "dry" direct laser writing and a "wet" screen printing are employed to fabricate laser‐induced graphene as electrode layer and zinc oxide as photosensitive layer, respectively. The liquid‐free fabrication of LIG significantly reduces the complexity and cost of the production. An automatic conveyor belt is designed to realize continuous‐flow manufacturing. The photodetectors demonstrate good ultraviolet (UV) photodetection performances, such as a photo‐to‐dark current ratio (Iphoto/Idark) of 5.67 × 105, approaching the record of similar devices. The manufacturing system presents a high reproducibility, considering that Iphoto/Idark only fluctuates within 7.10%. The flexible photodetectors are worn as wristbands after being integrated with a data acquisition and transmission circuit. UV intensity is real‐time monitored on a self‐developed mobile application. The continuous‐flow manufacturing based on the developed dry‐wet hybrid direct printing sheds light on the mass production of flexible wearable electronics. [ABSTRACT FROM AUTHOR]

Carbon nanotubes filled with organic molecules can serve as chemical nanoreactors. Recent experimental results show that, by introducing cyclic hydrocarbon molecules inside carbon nanotubes, they can be transformed into nanoribbons or inner tubes, depending on the experimental conditions. In this paper, we present our results obtained as a continuation of our previous molecular dynamics simulation work. In our previous work, the initial geometry consisted of independent carbon atoms. Now, as an initial condition, we have placed different molecules inside a carbon nanotube (18,0): C5H5 (fragment of ferrocene), C5, C5+H2; C6H6 (benzene), C6, C6+H2; C20H12 (perylene); and C24H12 (coronene). The simulations were performed using the REBO-II potential of the LAMMPS software package, supplemented with a Lennard-Jones potential between the nanotube wall atoms and the inner atoms. The simulation proved difficult due to the slow dynamics of the H abstraction. However, with a slight modification of the parameterization, it was possible to model the formation of carbon nanoribbons inside the carbon nanotube. [ABSTRACT FROM AUTHOR]

Although the transport of topological edge states may be insensitive to impurities, impurities may induce the interedge scattering and backscattering in topological nanoribbons due to the finite size effect. It may be interesting to compare the transport of topological edge states with that of trivial edge states in nanoribbons. Here, the quantum transport of edge states in the Sn-doped SbH nanoribbons using the density functional theory combined with nonequilibrium Green's function method is studied. Both topological and trivial edge states can be found in the zigzag SbH nanoribbons. The impurity generates a higher barrier near the doping position and leads to the scattering of the states. From calculations, the transmission of topological edge states can be smaller than that of trivial edge states due to the antiresonance behavior. Compared with topological edge states, the transport of trivial edge states is more sensitive to the impurity position. Besides, the edge impurity is more likely to induce scattering for both topological and trivial edge states than the central impurity in narrow SbH nanoribbons, since the transport channels are limited to the edges. This study may be helpful for understanding the transport of edge states in nanoribbons. [ABSTRACT FROM AUTHOR]

In this paper, we designed a multi-layer borophene-based nanoribbons metasurface and achieved a dynamically tunable plasmon-induced transparency (PIT) effect. The numerical results indicate that the parallel multi-layer borophene nanoribbons (BNRs) support the PIT effect. This can be seen as a PIT effect caused by bright-bright mode excitation and coupling between upper and lower layer. The physical principles of the double-layer nanoribbons model can be theoretically demonstrated by using the two-particle model. Due to the heavier effective mass of borophene nanoribbons in the y-direction, when the placement direction of borophene nanoribbons is changed from the x-direction to the y-direction, the position of the PIT peak undergoes a significant red shift. By increasing the borophene carrier density in the model, the PIT window produces a blue shift. The PIT window can be tuned by changing the carrier concentration. Finally, the sensitivity and figure of merit (FOM) of the sensor are calculated, and the results are 55.3 THz/RIU and 86.58, respectively. The proposed structure has potential applications in the research and design of high-sensitivity sensors, optical switches, and optical storage. [ABSTRACT FROM AUTHOR]

Functional two-dimensional (2D) materials have been extensively explored for a wide range of applications such as energy generation, low-power computing, and biosensing. In this work, we present an approach involving the integration of six-layer platinum diselenide (PtSe2) as an interlayer between the thin gold film and SiO2 substrate to induce spontaneous formation of plasmonic nanostructures (nanoribbons) on the upper gold film (∼8 nm) under 1030 nm femtosecond laser irradiation. The formation of periodic nanostructures is attributed to the periodic energy deposition that occurs in the PtSe2 layers under intense femtosecond laser pulses. Notably, the self-assembled gold nanostructures exhibit a distinctive polarization-dependent plasmonic response in the near-infrared spectral region and could be directly fabricated in a centimeter scale within several minutes. This straightforward method for self-assembling plasmonic nanostructures using layered materials may expand the utility of functional 2D materials and advance the cost-effective and large-area fabrication of plasmonic thin-film nanostructures in a simplified manner. [ABSTRACT FROM AUTHOR]

Graphene nanoribbon woven fabrics (GNWFs) with excellent mechanical properties are promising for ballistic armor materials. The dynamic response of single-layer and bilayer GNWFs under nano-projectile impact at high-speed (4–5 km s−1) is investigated by molecular dynamics simulations. Results show that the woven structure is determined by the bandwidth and gap spacing, which influences the deformation/fracture and motion coupling effects of the crossed nanoribbons and the ballistic performance of GNWF. Owing to the perturbation of the van der Waals (vdW) interface between nanoribbons, the specific penetration energy of GNWFs reaches 16.02 MJ kg−1, which is much higher than that of single-layer graphene (10.80 MJ kg−1) and bilayer graphene (10.07 MJ kg−1). The peculiarities of woven structure minimize the damage of GNWFs, on the one hand, the reversibility of vdW interactions and the entanglement of nanoribbons provide GNWFs a certain self-healing ability. On the other hand, the porous nanostructure of twist-stacked bilayer GNWFs tends to be uniform and dense with the twist angle, which improves the impact resistance. This study provides more understanding of the ballistic properties of GNWFs and the design of nano-fabrics based on two-dimensional materials. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) magnetic materials have triggered tremendous interest in recent years due to their remarkable potential applications in magnetic storage and spintronics devices. Heat dissipation is of great significance in stability and durability of increasingly integrated magnetic devices. However, little investigation of thermal transport has been carried out in 2D magnetic materials and a comprehensive understanding of the underlying mechanism is still lacking. We experimentally demonstrate the thermal conductivity measurement of MnPSe3 nanoribbons and find a nonmonotonic thickness dependence, which is attributed to the phonon confinement effect in thin nanoribbons. The peaks of measured thermal conductivity are found to be modified with increasing thickness due to the magnon–phonon coupling. We propose that the magnon–phonon scattering rate increases with increasing thickness and causes a huge suppression in thermal conductivity. This study will deepen the understanding of the thermal properties of 2D magnetic materials and will benefit thermal management in designing magnetic devices. [ABSTRACT FROM AUTHOR]

Germanene nanoribbons, a one-dimensional material, have great potential for future technological applications. This research aims to investigate the electro-optical properties of boron-doped germanene nanoribbons with a width of five atoms. The theory used in this study is density functional theory (DFT). The original system is a narrow band gap semiconductor, with a gap size of 0.06eV. The doped configurations, which retain the honeycomb hexagonal structure, are stable and metallic in nature. The introduction of B atoms flattens the configuration, leading to a partial charge shift from Ge to B. The absorption peaks in the 3B and 5B configurations occur in the frequency range less than 500nm, indicating good absorption of visible light, and suggesting possible applications in light-sensitive components. Notably, the real part of the dielectric function’s 0z component is negative, offering immense potential for optical, microwave and communication applications. [ABSTRACT FROM AUTHOR]

Polar 2D macromolecular structures have attracted significant attention because of their ferroelectricity and ferro‐magnetism. However, it is challenging to synthesize them experimentally because dipoles or spins of these macromolecules tend to cancel each other. So far, there has been no successful strategy for assembling macromolecules in a unidirectional manner, achieving stereoregular polymerization on metal surfaces, and creating polar 2D polymer crystals. Recent progress in molecular assembly, on‐surface polymer synthesis, and direct control of molecules using electric field applications provides an opportunity to develop such strategies. In this regard, we first review past studies on chiral and achiral molecular assembly, on‐surface polymer synthesis, and orientation control of polar molecules. Then, we discuss our newly developed approach called “vectorial on‐surface synthesis”, which is based on “dynamic chirality” of compass precursors, stereoselective polymerization, and favorable interchain interactions originating from CH‐π interactions. Finally, we conclude with a prospective outlook. [ABSTRACT FROM AUTHOR]

Tailoring the electronic, optical, and transport properties of low-dimensional semiconductor materials is essential to improve the light-conversion efficiency of thin-film solar cell materials. Here, using first-principles calculations and non-equilibrium Green functions, we investigate the enhancement of optoelectronic and transport properties of armchair graphene nanoribbons (AGNRs) upon adsorption of cadmium selenide clusters. Upon adsorption of a CdSe diatomic molecule on an AGNR, the most energetically favorable configuration is the cadmium end sitting on top of a carbon atom. The corresponding electronic bandgap reduces ∼5 times with respect to that of the pristine system, thanks to the formation of a polaron state formed by the p-orbital of the selenide atom. Upon adsorption of CdSe cyclohexane molecules, the bandgap of this system slightly shrinks by 0.121 eV with respect to the pristine system. The charge accumulation induced by these clusters significantly enhances the absorption coefficient of the adsorbed systems, resulting in a red shift of the optical spectra toward the infrared region. More interestingly, by solving the Bethe–Salpeter equations with the Tamm–Dancoff approximation, we provide a direct link between the first-principles optical prediction and experimental observations. In addition, the electron transfer from these molecules to the hosted systems increases the transmission spectra in the vicinity of the Fermi level, leading to a remarkable electronic current passing through these scattering regions. These results highlight the role of cadmium selenide clusters in enhancing the light-to-energy conversion efficiency of next-generation solar cell devices. [ABSTRACT FROM AUTHOR]

Based on density functional theory (DFT) and nonequilibrium Green's function (NEGF) framework, to study the monolayer (ML) blue phosphorene (BlueP) doped with C along zigzag direction, such as the structural stability, and electronic and transport properties. Interestingly, we found that doping engineering strategies can effectively transform monolayer ML ZBlueP doped with C into a spintronic nanodevice with a few unique transport properties. Firstly, our model showed a magnificently giant magnetoresistance (GMR) up to 10 $ ^4 $ 4 under low bias. Secondly, a rectifier with a large rectification ratio (RR) of 10 $ ^5 $ 5 was observed. Lastly, negative differential resistance with a peak-to-valley current ratio (PVCR) of 10 $ ^4 $ 4 was observed. Our research shows a promising route towards the development of high-performance ML ZBlueP spintronics technology by doping with C atom. Our results indicate that our models have immense potential for application in nanoscale spintronic devices. [ABSTRACT FROM AUTHOR]

Reverse degree-based topological indices (RDTIs) are applied to analyze the structural properties of molecules such as gamma graphyne and armchair graphyne nanoribbons. RDTIs provide valuable information about the connectivity patterns of atoms within a molecule, aiding in understanding its chemical and physical properties. For gamma graphyne and armchair graphyne nanoribbons, RDTIs would involve calculating the contributions from various atom pairs based on the degree differences between them. These indices consider the reverse order in which degrees are subtracted. RDTIs capture important aspects of molecular structure, including branching, degree distribution, and connectivity. Using RDTIs, one can assess the complexity, stability, and other characteristics of gamma graphyne and armchair graphyne nanoribbons. This paper focus on two structures made from hexagonal honeycomb graphite lattices, like gamma graphyne, and armchair graphyne nanoribbons. The methodology used in this study is First and second reverse Gourava indices, hyper first and second reverse Gourava indices, reverse multiplicative sum connectivity Gourava index, and reverse multiplicative product connectivity Gourava. Furthermore, these indices play a vital role in quantitative structure–property relationships and offer insights into the behaviour and reactivity of these unique molecular structures. Further research and computational analysis of RDTIs will deepen our understanding of these fascinating carbon-based materials. [ABSTRACT FROM AUTHOR]

[Display omitted] Supramolecular self-assembly of low molecular weight molecules into various organic nanostructures has attracted considerable research interest. However, preparing organic nanostructures through a top-down method, such as the disassembly of one large structure into many smaller nanoscale nanostructures, still remains a big challenge. Here, we make use of anti-solvent method to regulate the hierarchical self-assembly of an achiral C 3 -symmetric molecule in THF/water to prepare various nanostructures, including spherical structures, nanofibers, nanoribbons and nanotwists. Interestingly, the spherical structures could disassemble into nanohelices through good solvent dilution, providing a nanoscale top-down method to prepare organic nanostructures. [ABSTRACT FROM AUTHOR]

To investigate the effect of quantum confinement on the thermoelectric properties of armchair graphene (AGNRs) at different temperatures, we have used density functional theory-based tight-binding (DFTB) together with the non-equilibrium Green's function (NEGF). In this study, we focus on eight different widths of AGNR, namely the ribbon width, which ranges from 3 to 10. The results demonstrate that the band structure may be altered by changing the ribbon width, leading to changes in the electrical components of thermoelectric efficiency. Also, decreasing ribbon width increases the band gap and effect of phonon edge scattering on thermal conductance for the AGNR series. Thus, it has a higher Seebeck coefficient and figure of merit (ZT) than wider AGNRs. Also, it is found that the ZT is increasing as temperatures rise, where the Fermi distribution broadens and excites more states in adjacent bands as the temperature rises. These results suggest that engineered graphene nanoribbons have the potential to produce high ZT values and are an attractive contender for use in the development of future thermoelectric generators. [ABSTRACT FROM AUTHOR]

Adopting the first-principles calculation method based on density functional theory, we investigate the electronic and optical properties of alkali atoms (Li, Na and K) and oxygen (O) atoms adsorption of doped graphene nanoribbons. We further inspected the differential charge density, energy band structure, partial state density, electron energy loss spectrum, as well as the valence electron state of impurity atoms. The results revealed the significant effect of Li, Na and K atoms on the graphene nanoribbons, presenting n-type direct band gap degenerate semiconductors with the band gap values of 0.438, 0.529 and 0.494 eV, respectively. An increase in the adsorption of O in turn changed the materials into p-type direct band gap degenerate semiconductors with the band gap values of 0.573, 1.011 and 0.967 eV, respectively. Partial charge density demonstrated a charge migration between the atoms, resulting in a certain change in the electronic properties of the materials. Additionally, the hybridization and local effects of the adsorbed atoms and C atoms resulted in the promotion of the electronic properties near the Fermi level to be significantly modulated. [ABSTRACT FROM AUTHOR]

Precise synthesis of carbon-based nanostructures with well-defined structural and chemical properties is of significance towards organic nanomaterials, but remains challenging. Herein, we report on a synthesis of nitrogen-doped porous carbon nanoribbons through a stepwise on-surface polymerization. Scanning tunneling microscopy revealed that the selectivity in molecular conformation, intermolecular debrominative aryl-aryl coupling and inter-chain dehydrogenative cross-coupling determined the well-defined topology and chemistry of the final products. Density functional theory calculations predict that the ribbons are semiconductors, and the band gap can be tuned by the width of the ribbons. The atomically precise on-surface synthesis of carbon-based nanostructures is of relevance for electronic and optoelectronic devices, but achieving control over such architectures remains challenging. Here, the authors demonstrate the selective stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons with well-defined topologies and structures, and predict variable band gaps dependent on ribbon width. [ABSTRACT FROM AUTHOR]

One-dimensional (1D) Tetra-Penta-Hepta graphene nanoribbon (TPH-GNR) is an enticing material because of its distinctive structural and electrical characteristics. Using first-principles calculations, we investigate hydrogen molecules (H 2) storage on alkali metal (M = Li and Na)-decorated TPH-GNR. The initial results indicate that the adsorption of H 2 on pristine TPH-GNR is weak (−0.09 eV/H 2). However, alkali metal decoration significantly enhances the adsorption strength. Ab initio molecular dynamics simulations confirm the thermal stability of alkali metal-decorated TPH-GNR. We further analyze the charge transfer mechanism and density of states, which reveal a strong polarization of the H 2 molecules. Our study also reveals that 4 M@TPH-GNR exhibits gravimetric densities of 7.75 % (Li) and 6.90 % (Na), indicating the potential of TPH-GNR as an effective substrate for H 2 storage. Furthermore, a thermodynamic evaluation is conducted to examine the absorption and release of H 2 under practical operating conditions. Our findings suggest that alkali metal-decorated TPH-GNR can serve as a prospective material for efficient H 2 storage. [Display omitted] • Pristine TPH-GNR weakly adsorb H 2 Molecule. • The most stable adsorption site for Li/Na atom on TPH-GNR is the hollow site. • 4 Li@TPH-GNR and 4 Na@TPH-GNR adsorb H 2 with desirable adsorption energy. [ABSTRACT FROM AUTHOR]

Graphene nanoribbons (GNRs) are narrow strips of graphene with widths ranging from a few nanometers to a few tens of nanometers. GNRs possess most of the excellent properties of graphene, while also exhibiting unique physical characteristics not found in graphene, such as an adjustable band gap and spin-polarized edge states. These properties make GNRs an appealing candidate for carbon-based electronics. In this review, we begin by introducing the edge geometry and electronic bands of GNRs. We then discuss various methods for fabricating GNRs and analyze the characteristics of each method. Subsequently, the performance of GNR field-effect transistor devices obtained from a few representative GNR fabrication methods is discussed and compared. We also investigate the use of GNRs as quantum dots and spintronic devices. Finally, the challenges and opportunities of GNRs as a quantum material for next-generation electronics and spintronics are explored and proposed. [ABSTRACT FROM AUTHOR]

The repair of bone defects in diabetes remains a major challenge in the field of biomedicine because of the disturbance of bone immune homeostasis and the susceptibility of exposed wounds to bacterial infection. Clinically, immunoregulation by removing excessive reactive oxygen species (ROS) effectively promotes diabetic bone defect repair. However, aggressive ROS clearance can disrupt ROS homeostasis, making ROS‐mediated polarization of M2 macrophages in the process of tissue healing of diabetes be difficult. Herein, an ultrathin defective tungsten oxide (WOx) nanoribbon with high oxygen vacancies to simultaneously achieve moderate scavenging of ROS and high broad‐spectrum photothermal antibacterial activity to promote diabetic bone defect repair is reported. It is demonstrated that the moderate ROS clearance ability of WOx nanoribbons can remodel metabolic patterns for achieving 86.3% M2 macrophage induction in a high glucose microenvironment. This high induction efficiency combined with excellent photothermal antibacterial ability of WOx nanoribbons markedly alleviated the inflammatory reaction and efficiently facilitated the repair of bone defects infected with methicillin‐resistant Staphylococcus aureus (S. aureus) in C57BLKS/J (BKS)‐diabetic (BKS‐db) mice. [ABSTRACT FROM AUTHOR]

AbstractLevofloxacin is an antibiotic used to treat bacterial infections. This work aimed to produce a new modified electrode for the determination of levofloxacin. The graphene nanoribbons (GNRs) were prepared by chemical oxidation and a layered double hydroxide (LDH) containing nickel and cobalt cations (Ni/Co–LDH) using electrodeposition. The oxidation peak current of levofloxacin showed an increase and shifted to lower potentials using a glassy carbon electrode modified with GNRs and Ni/Co–LDH. The reported electrode demonstrated a linear dynamic range from 5.0 to 150.0 μmol L−1 with a limit of detection for levofloxacin of 1.1 μmol L−1. The modified electrodes were successfully utilized for the determination of levofloxacin in urine. [ABSTRACT FROM AUTHOR]

By leveraging the principles of electromagnetic theory and materials science, the characteristics of dielectric polymer composites can be optimized, eliminating repetitive trial‐and‐error in their application as electromagnetic absorbers (EMAs). Herein, a systematic framework for optimizing the thickness and composition of double‐layer EMAs is proposed, using a combination of transmission line, Debye relaxation, and Maxwell–Garnett theories. Following theoretical optimization, a double‐layered electrospun EMA is fabricated, which comprises a ≈1.17 mm thick matrix of styrene–butadiene–styrene (SBS) decorated with MXene on its fibrous structure. The second SBS layer, with a thickness of ≈0.52 mm, incorporates a hybrid of MXene and graphene nanoribbons (GNR) as conductive additives. The EMA exhibits durable electrical performance after 2000 tensile cycles, owing to the surface chemistry engineering and the novel in situ assembly technique. It is capable of shielding 99.9% of the incident wave and >80% absorptivity (A) over almost the entire Ku‐band. The EMA also exhibits desirable mechanical characteristics, such as >300% stretchability and full twist and wrinkle recoveries, making it an excellent choice for protective attire applications. Additionally, the introduced approach provides solutions for the advancement of tailorable polymer composite EMAs, with respect to specific criteria of the target wave frequency, effective absorption bandwidth, and absorption levels. [ABSTRACT FROM AUTHOR]

Understanding the mechanism underlying the formation of quantum‐sized semiconductor nanocrystals is crucial for controlling their synthesis for a wide array of applications. However, most studies of 2D CdSe nanocrystals have relied predominantly on ex situ analyses, obscuring key intermediate stages and raising fundamental questions regarding their lateral shapes. Herein, the formation pathways of two distinct quantum‐sized 2D wurtzite‐CdSe nanocrystals — nanoribbons and nanosheets — by employing a comprehensive approach, combining in situ small‐angle X‐ray scattering techniques with various ex situ characterization methods is studied. Although both nanostructures share the same thickness of ≈1.4 nm, they display contrasting lateral dimensions. The findings reveal the pivotal role of Se precursor reactivity in determining two distinct synthesis pathways. Specifically, highly reactive precursors promote the formation of the nanocluster‐lamellar assemblies, leading to the synthesis of 2D nanoribbons with elongated shapes. In contrast, mild precursors produce nanosheets from a tiny seed of 2D nuclei, and the lateral growth is regulated by chloride ions, rather than relying on nanocluster‐lamellar assemblies or Cd(halide)2–alkylamine templates, resulting in 2D nanocrystals with relatively shorter lengths. These findings significantly advance the understanding of the growth mechanism governing quantum‐sized 2D semiconductor nanocrystals and offer valuable guidelines for their rational synthesis. [ABSTRACT FROM AUTHOR]

This study's methodology employs the pristine Armchair Boron Nitride Nanoribbons (ABNNR) and Armchair Boron Nitride Nanoribbons Stone–Wales (ABNNR-SW) defects as carriers for the fluorouracil (FU), Nitrosourea (NU), and Thiotepa (TP) anticancer medicines. Utilizing density functional theory (DFT), the electrical properties of the interaction of FU, NU, and TP anticancer drugs with ABNNR and ABNNR-SW defects were studied. Our results show that ABNNR exhibits isolator behavior with a 6.155 eV energy gap, while the ABNNR-SW defect exhibits semiconductor behavior with a 3.862 eV energy gap. In addition, the energy gap was significantly reduced after the interaction of medicinal molecules with ABNNR and the ABNNR-SW defect substrate. The non-covalent interactions between the ABNNR and ABNNR-SW defects and anticancer medicines, which are important to the delivery process, were investigated in depth. The adsorption energies of the NU and TP drug molecules on the ABNNR-SW defect are much greater than those of the other complex structures with the Eads, which are − 30.667 and − 30.473 eV, respectively. This is a consequence of the Stone-Wales impact on the ABNNR structure, according to the results. In terms of specific drug delivery and biomedicine, the recovery period value indicates that ABNNR-SW is more suitable as a carrier for the NU and TP drugs, respectively. [ABSTRACT FROM AUTHOR]

This paper deals with the free vibrational behavior of two crossed graphene nanoribbons (GNRs) embedded in an elastic medium using nonlocal continuum-based models. The interactional van der Waals (vdW) forces have a crucial role to play in the vibration of the graphene-based nanostructure. The Lennard–Jones potential function is employed to model the non-uniform vdW force between two crossed GNRs. Eringen's differential/integral nonlocal models are developed to derive the equations of motion on the basis of Rayleigh and Timoshenko beam theories. Then, Galerkin's procedure, as a discretization method, and the assumed mode technique, as a solution method for ordinary integro-differential equations, are implemented. Several numerical studies, including the effects of intersection angle, intersection point, nonlocal parameter, and stiffness of elastic medium on the mechanics of nanostructure, are provided to show how the present models affect the free vibration of the system. The study results show that the consideration of non-uniform interactional vdW force leads to a more comprehensive model for dynamic analysis of nanostructure, and the value of intersection angle has a significant influence on the vibration of two crossed GNRs. [ABSTRACT FROM AUTHOR]

Graphene nanoribbons (GNRs) are natural waveguides for electrons in graphene. Nevertheless, unlike micrometer-sized samples, conductance is nearly suppressed in these narrow graphene stripes, mainly due to scattering with edge disorder generated during synthesis or cut. A possible way to circumvent this effect is to define an internal waveguide that isolates specific modes from the edge disorder and allows ballistic conductance. There are several proposals for defining waveguides in graphene; in this manuscript, we consider strain folds and scalar potentials and numerically evaluate these proposals' performance against edge and bulk disorder. Using the Green's function approach, we calculate conductance and the local density of states of zigzag GNRs and characterize the performance of these different physical waveguiding effects in both types of disorders. We found a general improvement in the electronic conductance of GNR due to the presence of the internal waveguiding, with the emergence of plateaus with quasi-ballistic properties and robustness against edge disorder. These findings are ready to be applied in modern nanotechnology and are being experimentally tested. [ABSTRACT FROM AUTHOR]