Search Results (128)

The inorganic proton acid-doped polyaniline (H-PANI-X) is synthesized directly on a graphite carbon paper electrode. The polyaniline doped with hydrochloric acid (yielding H-PANI-Cl), sulfuric acid (yielding H-PANI-HSO₄), and nitric acid (yielding H-PANI-NO₃) is employed to construct both finite molecule and periodic molecule computational models. Theoretical calculation and experimental measurement of a polyaniline/graphite carbon paper electrode are adopted to reveal the doping effect of inorganic acid radical ions (Cl⁻, HSO₄⁻, NO₃⁻) on electrical and electrochemical properties of H-PANI-X. H-PANI-X shows a lower electronic band gap structure, indicating more feasible electron transfer than PANI. H-PANI-X shows a lower HOMO-LUMO orbital energy gap, indicating lower excitation energy than PANI. H-PANI-X also shows a higher electronic density of states level, indicating higher electrical conductivity than PANI. The charge density difference of H-PANI-X reveals a more delocalized electrostatic potential distribution, indicating an enhanced electrostatic interaction between protonated PANI and charge-balancing anions. Furthermore, H-PANI-HSO₄ and H-PANI-NO₃ exhibit hydrogen bonding between the protonated PANI and charge-balancing anions, resulting in reduced electronic band gaps and enhanced electronic density of states compared with H-PANI-Cl. H-PANI-NO₃ with higher electronic states at the Fermi level and higher anionic electronegativity exhibits higher electrical conductivity than H-PANI-Cl and H-PANI-HSO₄. The experimental measurement is conducted to investigate the electrochemical properties of H-PANI-X. The electrochemical impedance spectroscopy measurement indicates H-PANI-NO₃ maintains lower charge transfer resistance (0.357 Ω) than H-PANI-HSO₄ (3.003 Ω) and H-PANI-Cl (10.571 Ω). The cyclic voltammetry measurement indicates that H-PANI-NO₃ has much higher redox current and mean current density responses, accordingly exhibiting superior capacitance (208.0 mF cm⁻²) performance in comparison with H-PANI-Cl (129.5 mF cm⁻²) and H-PANI-HSO₄ (157.9 mF cm⁻²). Theoretical calculation and experimental investigation confirm H-PANI-NO₃ presents superior electroactivity to H-PANI-Cl and H-PANI-HSO₄ for promoting its electrochemical capacitance performance. Full article

In this work, the He and Ar triplet autoionizing states have been studied using a non-monochromatic electron beam and a high-resolution electrostatic analyzer at low incident electron energies and three ejection angles: 40°, 90°, and 130°. Low-energy electrons have been used because they have a high probability of exciting triplet states regardless of whether they are discrete isolate states or are embedded in the ionization continuum. Additionally, the He ejected electron spectra have been measured at several ejection angles between 20° and 130° and two incident energies, namely 60.5 eV and 101 eV. The anisotropic angular distributions indicate that orbital angular momentum exchange between the ejected and scattered electrons occurred. The energies of the first triplets 3s3p⁶4s(³S) and 3s3p⁶4p(³P) states of argon are found to be (24.985 ± 0.020) eV and (26.52 ± 0.02) eV, respectively. Full article

This study employs density functional theory (DFT) and time-dependent DFT (TD-DFT) to systematically investigate the ground- and excited-state properties of hybrid systems composed of CdSe quantum dots (QDs) with graphene and boron nitride (BN). Through Multiwfn wavefunction analysis, we calculated the highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gaps and density of states (DOS), revealing distinct symmetry-dependent electronic characteristics. The HOMO–LUMO gap analysis demonstrates graphene’s superior charge transfer capability compared to BN, attributed to its higher structural symmetry enabling more efficient orbital overlap. DOS analysis further confirms the enhanced electrical conductivity in symmetry-matched graphene hybrids. The independent gradient model (IGM) and reduced density gradient (RDG) analyses reveal fundamentally different interfacial interaction patterns: the graphene hybrid exhibits uniform van der Waals interactions, consistent with its hexagonal symmetry, while the BN system shows heterogeneous interactions with localized hydrogen bonding due to symmetry reduction from heteroatomic composition. Binding energy calculations indicate greater stability in the graphene-based hybrid, reflecting optimal symmetry matching at the interface. UV–Vis spectra analysis shows that graphene dominates the optical response in its hybrid system, maintaining its symmetric spectral characteristics, while CdSe QDs govern the BN hybrid’s absorption. Electrostatic potential distributions remain essentially unchanged post-hybridization, preserving the intrinsic charge symmetry of components. Two-photon absorption (TPA) characterization reveals significant nonlinear optical properties in CdSe QDs, particularly at the first excited state. This work provides the first systematic comparison of charge transfer dynamics in CdSe QDs hybridized with graphene versus BN, demonstrating how material symmetry governs optoelectronic modulation mechanisms. The findings establish symmetry–property relationships that inform the design of low-dimensional hybrid materials for photonic applications. Full article

Based on the hydrodynamic description, the dynamics of nonlinear cylindrical waves in an isentropic plasma are investigated. The problem is considered in an electrostatic formulation for a two-dimensional plasma medium where ions form a stationary background. Proceeding from the particular, exact solution of hydrodynamic equations, we obtain the system of differential equations which describes the electron’s dynamics, taking into account the finite temperature of electrons. Moreover, we find the conditions when this system is reduced to the generalized Ermakov–Pinney equation which was used for analyzing electron dynamics. In the present calculations, a parabolic-in-radius temperature profile was used, associated with an electron density varying only with time. In the framework of the model that worked out, the influence of initial conditions and thermal effects on the regular and singular dynamics of excited waves are discussed. It is shown that the development of singular behavior due to intrinsic nonlinearity is avoided by taking into account thermal effects and the initial rotation of the electron flow. Full article

We systematically investigated the parent anthracene (abbreviated as en-1, C₁₄H₁₀) and three N,N′-disubstituted derivatives: the 1,5-diethylanthracene (en-2, C₁₈H₁₈), the 1,5-divinylanthracene (en-3, C₁₈H₁₄), and the 1,5-diphenylanthracene (en-4, C₂₆H₁₈), using a rigorous density functional theory (DFT)/time-dependent density functional theory (TD-DFT) approach. Following full geometric optimization and frequency validation (no imaginary frequencies), frontier molecular orbital analysis revealed an inverse correlation between conjugation extent and the HOMO-LUMO energy gap. Electrostatic potential (ESP) analysis further indicated a progressive increase in surface potential variance upon substitution, reflecting charge redistribution. TD-DFT calculations yielded vertical excitation wavelengths of 438 nm, 441 nm, 464 nm, and 496 nm for en-1, en-2, en-3, and en-4, respectively. Complementary color theory predicts visual colors of yellow, yellow, red, and orange for these compounds based on their absorption characteristics. This work establishes a closed-loop “computation-spectra-color” model for anthracene-based dyes, providing a transferable design paradigm for novel functional pigments with high molar extinction coefficients. Full article

Feedthrough interference is inevitably introduced in MEMS gyroscopes due to non-ideal factors such as circuit layout design and fabrication processes, exerting non-negligible impacts on gyroscope performance. This study proposes a feedthrough suppression scheme for MEMS gyroscopes based on mixed-frequency excitation signals. Leveraging the quadratic relationship between excitation voltage and electrostatic force in capacitive resonators, the resonator is excited with a modulated signal at a non-resonant frequency while sensing vibration signals at the resonant frequency. This approach achieves linear excitation without requiring backend demodulation circuits, effectively separating desired signals from feedthrough interference in the frequency domain. A mixed-frequency excitation-based measurement and control system for MEMS gyroscopes is constructed. The influence of mismatch phenomena under non-ideal conditions on the control system is analyzed with corresponding solutions provided. Simulations and experiments validate the scheme’s effectiveness, demonstrating feedthrough suppression through both amplitude-frequency characteristics and scale factor perspectives. Test results confirm the scheme eliminates the zero introduced by feedthrough interference in the gyroscope’s amplitude-frequency response curve and reduces force-to-rebalanced detection scale factor fluctuations caused by frequency split variations by a factor of 21. Under this scheme, the gyroscope achieves zero-bias stability of 0.3118 °/h and angle random walk of 0.2443 °/h/√Hz. Full article

As MEMS design encounters growing challenges, particularly stiction between movable and stationary electrodes, dielectric charging, pull-in instability, and multi-valued response characteristics, the integration of dimple-equipped structures has emerged as a pivotal solution to mitigate these fundamental issues. Consequently, this study investigates the dynamic behavior of an electrostatically actuated double-clamped microbeam incorporating dimples and contact pads. While the dimples enhance the beam’s travel range, they may also induce an impact mode upon contact with the landing pads, leading to complex nonlinear dynamic phenomena. A reduced-order model was developed to numerically solve the governing equation of motion. The microbeam’s response was analyzed both with and without dimples using multiple analytical techniques, including bifurcation diagrams and discrete excitation procedures near the impacting regime. The findings demonstrate that the inclusion of dimples effectively suppresses stiction, pull-in instability, and multi-valued responses. The results indicate that upon contacting the landing pads, the beam exhibits pronounced nonlinear dynamic behaviors, manifesting as higher-period oscillations such as period-3, period-4 and period-5 and then fully developed chaotic attractors. Indeed, this specifically demonstrates the potential of using the dynamic transition from a steady-state to a chaotic response to build novel MEMS sensors. Full article

Nitrogen and sulfur-co-doped carbon dots (N, S-CDs) were synthesized using a simple, eco-friendly hydrothermal technique with L-cysteine as the precursor. The synthesis approach produced highly water-dispersible, heteroatom-doped CDs with surface functional groups comprising amine, carboxyl, thiol, and sulfonic acid. Data analysis of X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and transmission electron microscopy (TEM) confirmed their amorphous nature, nanoscale dimensions (1–8 nm, average particle size of 2.6 nm), and surface chemistry. Optical examination revealed intense and pure blue fluorescence emission under UV excitation, with excitation-dependent emission behavior attributed to surface defects and heteroatom doping. The N, S-CDs were applied as fluorescent probes for detecting perfluorooctanesulfonic acid (PFOS), a notable component of the perfluoroalkyl substances (PFAS) family, demonstrating pronounced and concentration-dependent fluorescence quenching. A linear detection range of 3.33–20 µM and a limit of detection (LOD) of 2 µM were reported using the N, S-CDs probe. UV-Vis spectral shifts and dye-interaction investigations indicated that the sensing mechanism is regulated by non-covalent interactions, primarily electrostatic and hydrophobic forces. These findings confirm the potential of N, S-CDs to be used as effective optical sensors for detecting PFOS in environmental monitoring applications. Full article

As a rarefied metallic element, strontium (Sr) is susceptible to significant environmental radioactive contamination risks during industrial mining and refining processes. In this study, NaA molecular sieves were prepared by alkali excitation using synthetic powders, which were homogeneously blended with the polyacrylonitrile (PAN) matrix, and nanoscale TiO₂ reinforcing phases were introduced. Finally, composite separation membranes (TiO₂-NaA@PANMs) with stable adsorption properties were constructed by electrostatic spinning technology. The micro-morphology and interfacial properties were characterized by SEM, XRD, and FT-IR systems. The adsorption experiments demonstrated that the equilibrium adsorption capacity of the system for Sr²⁺ reached 55.00 mg/g at the optimized pH = 6.0, and the theoretical saturated adsorption capacity at 298 K was 80.89 mg/g. The isothermal process conformed to the Langmuir’s model of monomolecular layer adsorption, and the kinetic behavior followed the quasi-secondary kinetic equation. Following three cycles of regeneration by elution with a 0.3 mol/L sodium citrate solution, the membrane material exhibited 81.60% Sr²⁺ removal efficacy. The composite membrane passages exhibited remarkable potential for utilization in engineering applications involving the treatment of complex nuclear wastewater. Full article

Compared with traditional immunoassay methods, microfluidic immunoassay restricts the immune response in confined microchannels, significantly reducing sample consumption and improving reaction efficiency, making it worthy of widespread application. This paper proposes an exciting multi-frequency electrothermal flow (MET) technique by applying combined standing-wave and traveling-wave voltage signals with different oscillation frequencies to a three-period quadra-phase discrete electrode array, achieving rapid immunoreaction on functionalized electrode surfaces within straight microchannels, by virtue of horizontal pumping streamlines and transverse stirring vortices induced by nonlinear electrothermal convection. Under the approximation of a small temperature rise, a linear model describing the phenomenon of MET is derived. Although the time-averaged electrothermal volume force is a simple superposition of the electrostatic body force components at the two frequencies, the electro-thermal-flow field undergoes strong mutual coupling through the dual-component time-averaged Joule heat source term, further enhancing the intensity of Maxwell–Wagner smeared structural polarization and leading to mutual influence between the standing-wave electrothermal (SWET) and traveling-wave electrothermal (TWET) effects. Through thorough numerical simulation, the optimal working frequencies for SWET and TWET are determined, and the resulting synthetic MET flow field is directly utilized for microfluidic immunoassay. MET significantly promotes the binding kinetics on functionalized electrode surface by simultaneous global electrokinetic transport along channel length direction and local chaotic stirring of antigen samples near the reaction site, compared to the situation without flow activation. The MET investigated herein satisfies the requirements for early, rapid, and precise immunoassay of test samples on-site, showing great application prospects in remote areas with limited resources. Full article

This paper investigates the effect of electrostatic nonlinearity on the rate-sensing performance of imperfect ring-based Coriolis Vibrating Gyroscopes (CVGs) for devices having 8 and 16 evenly distributed electrodes. Mathematical models are developed for CVGs operating in (i) an open loop for a linear electrostatically trimmed device, (ii) a closed loop where a sense force balancing is applied to negate the sense quadrature response, and the effects of electrostatic nonlinearity are investigated for increasing drive amplitudes. The modeling indicates the nonlinear responses for 8- and 16-electrode arrangements are quite different, and this can be attributed to the nonlinear frequency imbalance, which depends on the drive and sense frequency softening as well as the presence of self-induced parametric excitation in the sense response. In open loop the 16-electrode arrangement exhibits much weaker levels of nonlinearity than the 8-electrode arrangement because the nonlinear frequency imbalance is less sensitive to drive amplitude. For devices operating in closed-loop with sense force balancing to ensure the drive and sense responses are in-phase/anti-phase, it is shown that ideal rate-sensing performance is achieved at large drive amplitudes for both 8- and 16-electrode arrangements. Using sense force balancing, rate sensing can be achieved using either the sense response or the required balancing voltage. For the latter, large nonlinear frequency imbalances and low damping levels enhance rate-sensing performance. Full article

In recent years, extensive research has been conducted with the aim of developing non-fullerene acceptors as they have a promising ability to drive the development of cost-effective and highly efficient organic solar cells (OSCs). By harnessing the potential of rhodanine-flanked non-fullerene acceptors (NFAs), we proposed eight new A-D-A type NFAs (SBA1–SBA8) through precise end-cap modifications on both sides of the bridging-core unit. We performed various advanced quantum chemical analyses to unveil these designed materials’ potential and compared them with the synthetic reference molecule (R). The proposed NFAs series presented lower binding and excitation energy, along with narrower energy gaps of 2.11 eV and enhanced absorption at 671.20 nm and 719.88 nm in gaseous and chloroform environments, respectively. Furthermore, the optoelectronic and photophysical characterizations related to the electrostatic potential, density of states, reorganization energy of electron and hole mobilities, and transition density matrix analysis reveal that these materials could be efficiently used as acceptor materials for efficient organic photovoltaics. Additionally, to check the impact of charge transfer at the donor: acceptor (D: A) interface, we studied the PTB7-Th:SBA1 D:A analysis and demonstrated a remarkable interface charge transfer phenomenon. Therefore, the engineered SBA1–SBA8 NFAs represent a significant advancement as sustainable and effective options for developing high-performance OSCs. Full article

Artificial muscles underlie exciting, novel technologies that have many wide-reaching applications: exoskeleton actuation, walker robots, prosthetics and stealthy underwater propulsion. Actuating these muscles via electrostatic forces promises excellent energy efficiency and output force density and a high strength-to-weight ratio. Building these muscles through 3D-printed and conductive microfluidics promises fast mass production at a low cost. A microfluidic double-helix weave as a potential solution for the architectural design of these actuators has previously been reported. However, more recent experimental work showed that a weave architecture was not manufacturable at the necessary scale, given the limitations of current 3D-printing technology. Herein, several alternative architectures are presented. They are more advanced and more compatible with current manufacturing requirements, and offer additional benefits. The presented experimental results confirm their improvements in manufacturability. These advanced architectures represent a significant step towards the experimental proof of principle and the practical implementation of electrostatic microfluidic 3D-printed artificial muscles. Full article

Electrostatic actuation is widely employed in microelectromechanical systems (MEMS) due to its distinct advantages. However, it requires high voltage, typically provided by a power supply and a high voltage amplifier, which is limited in gain, especially at high frequencies. Various methods have been proposed to amplify the voltage signal fed into the system by coupling it in series to an LC tank circuit. In this work, we analyze and compare three methods, resonance matching, multi-frequency excitation, and amplitude modulation. We also compare their performance to that of a voltage amplifier. We demonstrate that resonant circuits significantly enhance performance, offering a more effective solution for high-frequency MEMS actuation. Full article

Density functional theory (DFT) calculations were employed to study a series of complexes of general formula [Ru(salen)(X)(CO)]^0/−1 (X = Cl⁻, F⁻, SCN⁻, DMSO, Phosphabenzene, Phosphole, TPH, CN⁻, N₃⁻, NO₃⁻, CNH⁻, NHC, P(OH)₃, PF₃, PH₃). The effect of ligands X on the Ru-CO bond was quantified by the trans-philicity, Δσ¹³C NMR parameter. The potential of Δσ¹³C to be used as a probe of the CO photodissociation by Ru(II) transition metal complexes is established upon comparing it with other trans-effect parameters. An excellent linear correlation is found between the energy barrier for the Ru-CO photodissociation and the Δσ¹³C parameter, paving the way for studying photoCORMs with the ¹³C NMR method. The strongest trans-effect on the Ru-CO bond in the [Ru(salen)(X)(CO)]^0/−1 complexes are found when X = CNH⁻, NHC, and P(OH)₃, while the weakest for X = Cl⁻, NO₃⁻ and DMSO trans-axial ligands. The Ru-CO bonding properties were scrutinized using Natural Bond Orbital (NBO), Natural Energy Decomposition Analysis (NEDA) and Natural Orbital of Chemical Valence (NOCV) methods. The nature of the Ru-CO bond is composite, i.e., electrostatic, covalent and charge transfer. Both donation and backdonation between CO ligand and Ru metal centre equally stabilize the Ru(II) complexes. Ru-CO photodissociation proceeds via a ³MC triplet excited state, exhibiting a conical intersection with the T₁ ³MLCT excited state. Calculations show that these complexes show bands within visible while they are expected to be red emitters. Therefore, the [Ru(salen)(X)(CO)]^0/−1 complexes under study could potentially be used for dual action, photoCORMs and theranostics compounds. Full article