Nanomaterials

Material deformation during nanoimprinting of aluminum (Al), copper (Cu), and gold (Au) was explored through molecular dynamics simulations. A comparative understanding of the deformation behavior of three substrate materials important for design and high-resolution pattern transfer was highlighted. In this study, we analyzed three metrics, including von Mises stresses, lattice deformation, and spring-back for the chosen materials. Of the three materials, the highest average von Mises stress of 7.80 MPa was recorded for copper, while the lowest value of 4.68 MPa was computed for the gold substrate. Relatively higher von Mises stress was observed for all three materials during the mold penetration stages; however, there was a significant reduction during the mold relaxation and retrieval stages. The Polyhedral Template Matching (PTM) method was adopted for studying the lattice dislocation of the materials. Predominantly Body-Centered Cubic (BCC) structures were observed during the deformation process and the materials regained more than 50% of their original Face-Centered Cubic (FCC) structures after mold retrieval. Gold had the lowest vertical spring-back at 6.54%, whereas aluminum had the highest average spring-back at 24.5%. Of the three materials, aluminum had the lowest imprint quality due to its irregular imprint geometry and low indentation depth after the NIL process. The findings of this research lay a foundation for the design and manufacture of Nanoimprint Lithography (NIL) molds for different applications while ensuring that the replicated structures meet the desired specifications and quality standards. Full article

The colorless and odorless ethylene glycol is prone to unknowingly causing poisoning, making preventive monitoring of ethylene glycol necessary. In this paper, scandium (III) trifluoromethanesulfonate was used as a catalyst to successfully prepare covalent organic framework (COF) nanospheres linked by imines at room temperature. The COF nanospheres were characterized by XRD, SEM, TEM, FT-IR, UV-Vis and BET. The results show that COF nanospheres have rough surfaces and a large number of mesoporous structures, which greatly increase the active sites on the surface of the sensing material and enhance the gas sensing performance. The sensing results showed that the prepared imine-conjugated COF nanospheres exhibited a good response–recovery ability for 10 consecutive response–recovery cycles for ethylene glycol at room temperature and had a theoretical detection limit of 40 ppb. In addition, the responses of COF nanospheres to nearly 20 interfering gases, including HCl, HNO₃, phenol, formaldehyde and aniline, are relatively low compared to the response to ethylene glycol, indicating that the COF nanospheres have high selectivity towards ethylene glycol. The COF nanospheres show good sensitivity and selectivity for the detection of ethylene glycol, which should be attributed to the large specific surface area, hydrogen bonding interactions, and high defects. This work provides an effective method for the detection of ethylene glycol and expands the application field of COF materials. Full article

Novel and high-security anti-counterfeiting technology has always been the focus of attention and research. This work proposes a nanocomposite combination of upconversion nanoparticles (UCNPs) and perovskite quantum dots (PeQDs) to achieve color-adjustable dual-mode luminescence anti-counterfeiting. Firstly, a series of NaGdF₄: Yb/Tm UCNPs with different sizes were synthesized, and their thermal-enhanced upconversion luminescence performances were investigated. The upconversion luminescence (UCL) intensity of the samples increases with rising temperature, and the UCL thermal enhancement factor rises as the particle size decreases. This intriguing thermal enhancement phenomenon can be attributed to the mitigation of surface luminescence quenching. Furthermore, CsPbBr₃ PeQDs were well adhered to the surfaces and surroundings of the UCNPs. Leveraging energy transfer and the contrasting temperature responses of UCNPs and PeQDs, this nanocomposite was utilized as a dual-mode thermochromic anti-counterfeiting system. As the temperature increases, the color of the composite changes from green to pink under 980 nm excitation, while it displays green to non-luminescence under 365 nm excitation. This new anti-counterfeiting material, with its high security and convenience, has great potential in anti-counterfeiting applications. Full article

Expanding swept volume technology via continuous-phase polymer solution and dispersed-phase particle gel is an important technique to increase oil production and control water production in mature waterflooding reservoirs. However, problems such as the low viscosity retention rate, deep migration, and weak mobility control of conventional polymers, and the contradiction between migration distance of particle gel and plugging strength, restrict the long-term effectiveness of oil displacement agents and the in-depth sweep efficiency expanding capability in reservoirs. Combined with the technical advantages of polymer and particle gel, a novel controllable phase-transition polymer was developed and systematically studied to gain mechanistic insights into enhanced oil recovery for mature waterflooding reservoirs. To reveal the phase-transition mechanism, the molecular structure, morphology, and rheological properties of the controllable phase-transition polymer were characterized before and after phase transition. The propagation behavior of the controllable phase-transition polymer in porous media was studied by conducting long core flow experiments. Two-dimensional micro visualization and parallel core flooding experiments were performed to investigate the EOR mechanism from porous media to pore level. Results show that the controllable phase-transition polymer could change phase from dispersed-phase particle gel to continuous-phase solution with the prolongation of ageing time. The controllable phase-transition polymer exhibited phase-transition behavior and good propagation capability in porous media. The results of micro visualization flooding experiments showed that the incremental oil recovery of the controllable phase-transition polymer was highest when a particle gel and polymer solution coexisted, followed by a pure continuous-phase polymer solution and pure dispersed-phase particle gel suspension. The recovery rate of the novel controllable phase-transition polymer was 27.2% after waterflooding, which was 8.9% higher than that of conventional polymer, providing a promising candidate for oilfield application. Full article

The detection and feedback of displacement and velocity significantly impact the control accuracy of the linear feed system. In this study, we propose a flexible and self-powered displacement sensor based on the triboelectric effect, designed for seamless integration into linear feed systems. The displacement sensor comprises two parts, the mover and stator, operating in a sliding mode. This sensor can precisely detect the displacement of the linear feed system with a large detection range. Additionally, the sensor is capable of real-time velocity detection of linear feed systems, with an error rate below 0.5%. It also offers advantages, such as excellent flexibility, compact size, stability, easy fabrication, and seamless integration, with linear feed systems. These results highlight the potential of the self-powered displacement sensor for various applications in linear feed systems. Full article

Nanostructured noble metal surfaces enhance the photoluminescence emitted by fluorescent molecules, permitting the development of highly sensitive fluorescence immunoassays. To this end, surfaces with silicon nanowires decorated with silver nanoparticles in the form of dendrites or aggregates were evaluated as substrates for the immunochemical detection of two ovarian cancer indicators, carbohydrate antigen 125 (CA125) and human epididymis protein 4 (HE4). The substrates were prepared by metal-enhanced chemical etching of silicon wafers to create, in one step, silicon nanowires and silver nanoparticles on top of them. For both analytes, non-competitive immunoassays were developed using pairs of highly specific monoclonal antibodies, one for analyte capture on the substrate and the other for detection. In order to facilitate the identification of the immunocomplexes through a reaction with streptavidin labeled with Rhodamine Red-X, the detection antibodies were biotinylated. An in-house-developed optical set-up was used for photoluminescence signal measurements after assay completion. The detection limits achieved were 2.5 U/mL and 3.12 pM for CA125 and HE4, respectively, with linear dynamic ranges extending up to 500 U/mL for CA125 and up to 500 pM for HE4, covering the concentration ranges of both healthy and ovarian cancer patients. Thus, the proposed method could be implemented for the early diagnosis and/or prognosis and monitoring of ovarian cancer. Full article

Optical anisotropy offers a heightened degree of flexibility in shaping optical properties and designing cutting-edge devices. Quasi-one-dimensional Ta₂NiS₅, with giant optical anisotropy, has been used in the development of new lasers and sensors. In this research endeavor, we successfully acquired the complete dielectric tensor of Ta₂NiS_5, utilizing the advanced technique of Mueller matrix spectroscopic ellipsometry, enabling a rigorous quantitative assessment of its optical anisotropy. The results indicate that Ta₂NiS₅ demonstrates giant birefringence and dichroism, with Δn_max = 1.54 and Δk_max = 1.80. This pursuit also delves into the fundamental underpinnings of this optical anisotropy, drawing upon a fusion of first-principles calculations and critical points analysis. The anisotropy of Ta₂NiS₅ arises from differences in optical transitions in different directions and is shown to be due to van Hove singularities without exciton effects. Its giant optical anisotropy is expected to be useful in the design of novel optical devices, and the revelation of the physical mechanism facilitates the modulation of its optical properties. Full article

Using nanoparticles (NPs) in drug delivery has exhibited promising therapeutic potential in various cancer types. Nevertheless, several challenges must be addressed, including the formation of the protein corona, reduced targeting efficiency and specificity, potential immune responses, and issues related to NP penetration and distribution within 3-dimensional tissues. To tackle these challenges, we have successfully integrated iron oxide nanoparticles into neuroblastoma-derived extracellular vesicles (EVs) using the parental labeling method. We first developed a tissue-engineered (TE) neuroblastoma model, confirming the viability and proliferation of neuroblastoma cells for at least 12 days, supporting its utility for EV isolation. Importantly, EVs from long-term cultures exhibited no differences compared to short-term cultures. Concurrently, we designed Rhodamine (Rh) and Polyacrylic acid (PAA)-functionalized magnetite nanoparticles (Fe₃O₄@PAA-Rh) with high crystallinity, purity, and superparamagnetic properties (average size: 9.2 ± 2.5 nm). We then investigated the internalization of Fe₃O₄@PAA-Rh nanoparticles within neuroblastoma cells within the TE model. Maximum accumulation was observed overnight while ensuring robust cell viability. However, nanoparticle internalization was low. Taking advantage of the enhanced glucose metabolism exhibited by cancer cells, glucose (Glc)-functionalized nanoparticles (Fe₃O₄@PAA-Rh-Glc) were synthesized, showing superior cell uptake within the 3D model without inducing toxicity. These glucose-modified nanoparticles were selected for parental labeling of the TE models, showing effective NP encapsulation into EVs. Our research introduces innovative approaches to advance NP delivery, by partially addressing the challenges associated with 3D systems, optimizing internalization, and enhancing NP stability and specificity through EV-based carriers. Also, our findings hold the promise of more precise and effective cancer therapies while minimizing potential side effects. Full article

Nanoparticles of NiLa_xFe_2−xO₄ ferrite spinel incorporated in a SiO₂ matrix were synthesized via a sol-gel method, followed by annealing at 200, 500, and 800 °C. The resulting materials were characterized via XRD, AFM, and BET techniques and evaluated for photocatalytic activity. The XRD diffractograms validate the formation of a single-phase cubic spinel structure at all temperatures, without any evidence of secondary peaks. The size of crystallites exhibited a decrease from 37 to 26 nm with the substitution of Fe³⁺ with La³⁺ ions. The lattice parameters and crystallite sizes were found to increase with the rise in La³⁺ content and annealing temperature. Isotherms were employed to calculate the rate constants for the decomposition of malonate precursors to ferrites and the activation energy for each ferrite. All nanocomposites have pores within the mesoporous range, with a narrow dispersion of pore sizes. The impact of La content on sonophotocatalytic activity was evaluated by studying Rhodamine B degradation under visible light irradiation. The results indicate that the introduction of La enhances nanocomposite performance. The prepared Ni-La ferrites may have potential application for water decontamination. Full article

This research delves into the intricate dynamics between multi-walled carbon nanotubes (MWCNTs), air-entraining admixtures (AEAs), and a range of superplasticizers (SPs) in cementitious systems, shedding light on key aspects of construction material innovation. The focus is on how MWCNTs, AEAs, and specific SPs—namely, lignosulfonate (LS), polycarboxylate (PCE), and polyacrylate (PA)—influence the stability of foams and the viscosity and setting times of cement pastes. To assess the impacts of these components, we employed foam stability assessments, viscosity measurement techniques, electrical conductivity analysis, and evaluations of dispersion and setting times. Results indicate that MWCNTs enhance foam stability and viscosity, with the degree of improvement contingent on the type and concentration of SPs and the presence of AEAs. Notably, SPs, particularly PCE and PA, markedly influence the properties of cement paste, including increasing dispersion values and modulating setting times, especially when combined with MWCNTs and AEAs. The study concludes that strategically combining MWCNTs with specific SPs and AEAs alters the physical properties of cementitious materials significantly, underscoring the potential for customizing material design in the construction sector. Full article

Spontaneous sorption of proteins on the nanoparticles’ surface leads to the fact that nanoparticles in biological media are always enveloped by a layer of proteins—the protein corona. Corona proteins affect the properties of nanoparticles and their behavior in a biological environment. In this regard, knowledge about the composition of the corona is a necessary element for the development of nanomedicine. Because proteins have different sorption efficacy, isolating particles with a full corona and characterizing the full corona is challenging. In this study, we propose a photo-activated cross-linker for full protein corona fixation. We believe that the application of our proposed approach will make it possible to capture and visualize the full corona on nanoparticles coated with a lipid shell. Full article

Oxyhydrides of rare-earth metals (REMOHs) exhibit notable photochromic behaviors. Among these, yttrium oxyhydride (YHO) stands out for its impressive transparency and swift UV-responsive color change, positioning it as an optimal material for self-cleaning window applications. Although semiconductor photocatalysis holds potential solutions for critical environmental issues, optimizing the photocatalytic efficacy of photochromic substances has not been adequately addressed. This research advances the study of REMOHs, focusing on the properties of gadolinium oxyhydride (GdHO) both theoretically and experimentally. The electronic and structural characteristics of GdHO, vital for ceramic technology, are thoroughly examined. Explicitly determined work functions for GdH₂, GdHO, and Gd₂O₃ stand at 3.4 eV, 3.0 eV, and 4.3 eV, respectively. Bader charge analysis showcases GdHO’s intricate bonding attributes, whereas its electron localization function majorly presents an ionic nature. The charge neutrality level is situated about 0.33 eV below the top valence band, highlighting these materials’ inclination for acceptor-dominant electrical conductivity. Remarkably, this research unveils GdHO films’ photocatalytic capabilities for the first time. Even with their restricted surface due to thinness, these films follow the Langmuir–Hinshelwood degradation kinetics, ensuring total degradation of methylene blue in a day. It was observed that GdHO’s work function diminishes with reduced deposition pressure, and UV exposure further decreases it by 0.2 eV—a change that reverts post-UV exposure. The persistent stability of GdHO films, hinting at feasible recyclability, enhances their potential efficiency, underlining their viability in practical applications. Overall, this study accentuates GdHO’s pivotal role in electronics and photocatalysis, representing a landmark advancement in the domain. Full article

In this paper we report an acid-modulated strategy for novel peptide microarray production on biosensor interfaces. We initially selected a controlled pore glass (CPG) as a support for solid-phase peptide synthesis (SPPS) to implement a chemistry that can be performed at the interface of multiple field effect transistor (FET) sensors, eventually to generate label-free peptide microarrays for protein screening. Our chemistry uses a temporary protection of the N-terminal amino function of each amino acid building block with a tert-butyloxycarbonyl (Boc) group that can be removed after each SPPS cycle, in combination with semi-permanent protection of the side chains of trifunctional amino acid residues. Such a protection scheme with a well-proven record of application in conventional, batchwise SPPS has been fine-tuned for optimal performance on CPG and, from there, translated to SPR chips that allow layer-by-layer monitoring of amino acid coupling. Our results validate this acid-modulated synthesis as a feasible approach for producing peptides in high yields and purity on flat glass surfaces, such as those in bio-FETs. Full article

Recently, metal halide perovskite-based top cells have shown significant potential for use in inexpensive and high-performance tandem solar cells. In state-of-the-art p-i-n perovskite/Si tandem devices, atomic-layer-deposited SnO₂ has been widely used as a buffer layer in the top cells because it enables conformal, pinhole-free, and highly transparent buffer layer formation. In this work, the effects of various electrical properties of SnO₂ and C60 layers on the carrier transport characteristics and the performance of the final devices were investigated using a numerical simulation method, which was established based on real experimental data to increase the validity of the model. It was found that the band alignment at the SnO₂/C60 interface does, indeed, have a significant impact on the electron transport. In addition, as a general design rule, it was suggested that at first, the conduction band offset (CBO) between C60 and SnO₂ should be chosen so as not to be too negative. However, even in a case in which this CBO condition is not met, we would still have the means to improve the electron transport characteristics by increasing the doping density of at least one of the two layers of C60 and/or SnO₂, which would enhance the built-in potential across the perovskite layer and the electron extraction at the C60/SnO₂ interface. Full article

The emergence of SARS-CoV-2 variants requires close monitoring to prevent the reoccurrence of a new pandemic in the near future. The Omicron variant, in particular, is one of the fastest-spreading viruses, showing a high ability to infect people and evade neutralization by antibodies elicited upon infection or vaccination. Therefore, the search for broad-spectrum antivirals that can inhibit the infectious capacity of SARS-CoV-2 is still the focus of intense research. In the present work, hyperbranched poly-L-lysine nanopolymers, which have shown an excellent ability to block the original strain of SARS-CoV-2 infection, were modified with L-arginine. A thermal reaction at 240 °C catalyzed by boric acid yielded Lys-Arg hyperbranched nanopolymers. The ability of these nanopolymers to inhibit viral replication were assessed for the original, Delta, and Omicron strains of SARS-CoV-2 together with their cytotoxicity. A reliable indication of the safety profile and effectiveness of the various polymeric compositions in inhibiting or suppressing viral infection was obtained by the evaluation of the therapeutic index in an in vitro prevention model. The hyperbranched L-arginine-modified nanopolymers exhibited a twelve-fold greater therapeutic index when tested with the original strain. The nanopolymers could also effectively limit the replication of the Omicron strain in a cell culture. Full article

Cathode active materials and conductive additives for thermal batteries operating at high temperatures have attracted research interest, with a particular focus on compounds offering high thermal stability. Recently, FeF₃ has been proposed as a candidate for high-voltage cathode materials; however, its commercialization is hindered by its low conductivity. In this study, conductive additives, such as Ni-coated carbon composites (multi-walled carbon nanotubes (MWCNTs) and carbon black (CB)), were utilized to enhance the thermal stability and conductivity of FeF₃. The incorporation of metal–carbon conductive additives in the FeF₃ composite increased the thermal stability by more than 10 wt.% and ensured high capacity upon conductivity enhancement. The FeF₃@Ni/MWCB 15 wt.% composite containing 30 wt.% Ni exhibited a discharge capacity of ∼86% of the theoretical capacity of 712 mAh/g. The use of Ni-coated carbon-based conductive additives will allow the application of FeF₃ as an effective high-temperature cathode material for thermal batteries. Full article

Due to the depletion of fossil fuels, the demand for renewable energy has increased, thus stimulating the development of novel materials for energy conversion devices such as fuel cells. In this work, nickel nanoparticles loaded on reduced graphene oxide (Ni/rGO) with small size and good dispersibility were successfully prepared by controlling the pyrolysis temperature of the precursor at 450 °C, assisted by a microwave-assisted hydrothermal method, and exhibited enhanced electrocatalytic activity towards oxygen reduction reaction (ORR). Additionally, the electron enrichment on Ni NPs was due to charge transfer from the rGO support to metal nickel, as evidenced by both experimental and theoretical studies. Metal–support interactions between nickel and the rGO support also facilitated charge transfer, contributing to the enhanced ORR performance of the composite material. DFT calculations revealed that the first step (from O₂ to HOO*) was the rate-determining step with an RDS energy barrier lower than that of the Pt(111), indicating favorable ORR kinetics. The HOO* intermediates can be transferred onto rGO by the solid-phase spillover effect, which reduces the chemical adsorption on the nickel surface, thereby allowing continuous regeneration of active nickel sites. The HO₂⁻ intermediates generated on the surface of rGO by 2e⁻ reduction can also efficiently diffuse towards the nearby Ni surface or the interface of Ni/rGO, where they can be further rapidly reduced to OH⁻. This mechanism acts as the pseudo-four-electron path on the RRDE. Furthermore, Ni/rGO-450 demonstrated superior stability, methanol tolerance, and durability compared to a 20 wt% Pt/C catalyst, making it a cost-effective alternative to conventional noble metal ORR catalysts for fuel cells or metal–air batteries. Full article

Edge magnetism in zigzag nanoribbons of monolayer MoS${}_2$ has been investigated with both density functional theory and a tight-binding plus Hubbard (TB+U) Hamiltonian. Both methods revealed that one band crossing the Fermi level is more strongly influenced by spin polarization than any other bands. This band originates from states localized on the sulfur edge of the nanoribbon. Its dispersion closely resembles that of the energy branch obtained in a linear chain of atoms with first-neighbor interaction. By exploiting this resemblance, a toy model has been designed to study the energetics of different spin configurations of the nanoribbon edge. Full article