A novel electronic structure methodology to describe electron transport in single-molecule junctions (SMJs) within non-equilibrium Green's function theory is presented. The approach is based on a formally exact, projection-based quantum embedding technique that combines correlated many-electron wavefunction models for the molecular region with a density functional theory (DFT) description of the metallic electrodes. This is achieved by constructing a specialized Hamiltonian for the molecular domain, leveraging Dyson orbitals corresponding to the ionized and electron-attached states of the embedded molecule. The effectiveness of this wavefunction-in-DFT embedding scheme is demonstrated through transport calculations for SMJs containing benzene-1,4-diamine and its substituted derivatives, employing Hartree-Fock, SOS-ADC(2), and CCSD methods for the molecular subsystem. The results show a marked improvement in the predicted zero-bias conductance compared to conventional DFT-based transport modeling employing the PBE functional. The proposed methodology provides a systematic way to select the most suitable electronic structure methods for the different parts of the system, maintaining a balance between accuracy and computational cost, while ensuring a proper description of electronic correlation within the molecule, which may notably impact electron transport in certain systems.

We report a rapid, single-step aerosol jet co-printing method for flexible, conductive collagen–silver electrodes. By simultaneously depositing collagen and silver nanoparticle inks, we achieve tunable conductivity and biocompatibility using short (<5 min) low-temperature (150 °C) curing. The resulting composites exhibit resistivity as low as ≈10−6 Ωm, maintain conductivity under mechanical flexure, and preserve partial protein structure for up to 3 weeks in physiological media. Cell culture studies confirm reduced cytotoxicity at high collagen content, defining a processing window that balances electrical and biological performance. These findings demonstrate that aerosol jet printing co-printing offers a scalable and versatile fabrication strategy for next-generation flexible bioelectronic devices, with electrical and biological performance that can be tuned through material composition and processing parameters.

Cardiotoxicity assessment is a crucial step in the drug development process. With growing interest in alternatives to animal testing, preclinical cardiotoxicity evaluation has become increasingly important. Human-induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs) offer a physiologically relevant in vitro model for this purpose. As a result, electrophysiological analysis platforms using iPSC-CMs have gained attention. However, conventional microelectrode array (MEA) chips rely on metal electrodes, which are costly and optically opaque. This lack of transparency limits detailed morphological observation of the cells. In this study, we employed an MEA chip incorporating transparent and conductive indium tin oxide (ITO) electrodes to simultaneously monitor both morphological changes and field potential (FP) of iPSC-CMs. iPSC-CMs cultured on ITO chips exhibited stable electrophysiological signals reflecting coupled depolarization and repolarization, along with self-organization. Short-term exposure to ion channel blockers did not induce noticeable morphological alterations; however, dose-dependent changes in FPs were observed. In contrast, treatment with cardiotoxic drugs resulted in morphological damage and reduced cell viability, accompanied by progressive alterations in key FP parameters over the treatment period. These findings demonstrate the potential of ITO-based MEA as next-generation cardiotoxicity evaluation platforms capable of real-time monitoring of both drug-induced electrophysiological responses and optical cellular changes.

The current–voltage behavior of three DNA nanowire models, which consist of a fishbone structure and two separate double-chain setups, alongside an RNA model illustrated by a half-ladder configuration, is examined using zigzag carbon nanotubes and associated metallic armchair graphene nanoribbon electrodes. This study utilizes the tight-binding Hamiltonian technique within the Landauer–Büttiker theory. The different DNA and RNA nanowire models exhibit nonlinear current–voltage characteristics, which are calculated and analyzed based on the corresponding transmission probability. The findings show that the current–voltage properties are affected by the type of leads and their working temperature, with zigzag nanotubes producing somewhat greater currents than nanoribbon electrodes. With a near-zero bias at the electrodes, the current–voltage characteristics are influenced by the dimerization effects of longitudinal hopping in the devices. Due to the expected strong connection between electronic transport characteristics and the structures of DNA and RNA, these results might stimulate additional investigation into their biological importance for nanoelectronic devices.

Cathode catalyst-assisted microbial electrosynthesis of acetate from carbon dioxide: promising material selection.

Direct electrochemical separation of uranium and lanthanides (Nd, Ce, La) from LiCl-KCl molten salt by bismuth and cadmium liquid metal electrodes

Filamentary mode, as a common phenomenon that appears in dielectric barrier discharge (DBD), is realized by rod-to-rod electrodes in N2-O2 mixtures at 80 mbar. The effects of the dielectric thickness on the characteristics of filamentary DBD are investigated through experiments and simulations. The discharges are driven by a positive unipolar nanosecond pulse voltage with 15.8 kV amplitude, 9 ns rise time (Tr10–90%), and 14 ns pulse width. The characteristics of filamentary DBD are recorded with an intensified charge-coupled device and a Pearson current probe in the experiment, and a 2D axisymmetric fluid mode is established to analyze the discharge. Surface discharges occur on the anode and cathode dielectric after the breakdown, and the discharge is gradually extinguished as the applied voltage decreases. A thinner total dielectric thickness (Da + Dc) leads to larger currents, stronger discharges, and wider discharge channels. These characteristics are consistent when the total dielectric thickness is the same but anode dielectric thickness and cathode dielectric thickness are different (Da ≠ Dc ≠ 0). If the anode is a metal electrode (Da = 0), the current will be substantially large, and two discharge modes are observed: stable mono-filament discharge mode and random multi-filament discharge mode. It is found in simulations that the dielectric thickness changes the electric field configuration. The electric field is stronger with the decrease in dielectric thickness and leads to a more intense ionization which is responsible for most of the observed effects.

This paper presents, for the first time, the structure-dependent parameter trade-off optimization on figure-of-merit (RonCoff) and power compression of AlGaN/GaN high electron mobility transistors (HEMTs) for radio frequency (RF) switch applications. For GaN HEMTs operating in switching mode, it was demonstrated that RonCoff can be effectively reduced by increasing the gate foot length (Lg_foot), decreasing the gate cap length (Lg_cap), reducing the gate bias resistance (rg), and adopting a high work function metal for the gate electrode (Φg). However, these parameter adjustments affect power compression and RonCoff in opposing manners. This paper also presents supplementary research on the effects of source-drain spacing (Lds) and gate width (Wg) on switching performance. This research achieves a dynamic balancing method for structural parameters, delivering application-specific design rules for different scenarios ranging from high-frequency to high-power applications.

We develop a semi-microscopic theory for the heterogeneous electron transfer (HET) rate constant (k0) based on the premise of the energy level alignment approach of matching the fluctuating quasi-Fermi level of the metal with the fluctuating frontier molecular orbital (FMO) of electroactive species at the self-assembled monolayer (SAM) covered metal electrodes. k0 is modeled through the free energy of activation (ΔG≠), which is a product of the interfacial electron affinity ratio of the electrode interface , and the energy gap (Δ) between the electrode and electroactive molecule, moderated through solvent reorganization energy (λs). can be modulated through the electronic properties and defects of the metal, charge reorganization () by the molecular dipole, dipole moment, and composition of the adsorbing molecule. The charge reorganization over the metal surface by the alkanethiols is 9-13% of the electronic charge. A novel microscopic approach is developed for evaluating solvent reorganization energy as the interaction between the redox ion and dipoles. k0 is a function of the electronic properties of the metal jellium (screening length, dielectric constant), characteristics of dipolar SAM (packing density, spacer length, and dipole moment), and the FMO energies of the electroactive molecule. The theory accounts for the influence of the spacer length of the alkanethiol and temperature on the HET kinetics. Finally, the theory shows agreement with the reported experimental data of the HET kinetics for the ferrocenyl-n-alkanethiols monolayer, Fc(CH2)nSH (n = 5, 6, 8, 9, and 11) and alkanethiols in the presence of [Ru(NH3)6]+2/+3 on Au(111) and Hg, respectively.

The surface of single-crystal metal electrodes can be well controlled at the atomic level to serve as superior models for fundamental electrochemistry in comparison with the polycrystalline counterparts. The single-crystal surface of a metal can be cleaned thermally and oriented downward to form a meniscus contact with an electrolyte solution for diverse electroanalytical characterization. Problematically, the widely used hanging-meniscus configuration is incompatible with scanning electrochemical microscopy (SECM), which requires the upward orientation of the single-crystal surface to an ultramicroelectrode tip. Herein, we report a precision-made glass cell to enable SECM of a disk Pt(111) substrate as a well-established model of single-crystal metal electrodes. The clean glass cell can accommodate the flame-annealed Pt(111) disk without adventitious contamination and solution leakage. The cleanliness of the entire Pt(111) surface is confirmed by cyclic voltammetry in perchloric acid and sulfuric acid to observe characteristic surface waves with butterfly peaks. We employ SECM to monitor the redox dynamics of underpotential hydrogen deposition, hydroxyl adsorption, and hydrogen oxidation at the clean Pt(111) surface under the tip. These electron-transfer reactions are coupled with proton transfer to generate and consume H+, which is detected amperometrically at the tip while the substrate potential is cycled. Interestingly, the tip current changes only slightly while a sharp butterfly peak is observed at the substrate, thereby indicating an unexpected nonfaradaic origin of the well-known peak. The new glass cell will be useful for in situ SECM of electrocatalytic reactions and intermediates at various single-crystal metal electrodes.

Mechanistic Insight into Solid Electrolyte Interphase Interactions for Sodium Metal Electrodes

Abstract Thermoelectric devices offer a promising route for waste-heat recovery, yet conventional modules—consisting of multiple pairs of inorganic legs soldered to rigid metal electrodes—are intrinsically brittle and nearly impossible to repair or reconfigure once fabricated. Although recent incorporation of flexible or stretchable polymeric components has improved mechanical deformability, these integrated architectures cannot be modified for new functions or restored. In this study, we propose the concept of Lego-like thermoelectric leg blocks that enable on-demand repair and reconfiguration via modular assembly. Each block operates as an independent unit comprising PDMS-based, self-healing Ag-flake-embedded composite electrodes and 3D-printed BiSbTe and BiTeSe thermoelectric legs, yielding flexible, repairable, and modular devices. Assembled devices preserve performance under bending (radius ≈ 3.4 mm), stretching (40%), and even after cutting and reassembly. Moreover, repeated disassembly/reassembly into diverse geometries proceeds without measurable loss in power output. Our Lego-like blocks provide a versatile thermoelectric platform that combines flexibility, reparability, and reconfigurability.

Perovskite solar cells (PSCs) are emerging as a promising technology for indoor photovoltaics due to their high efficiency and cost‐effective manufacturing. In this article, three strategies are explored to reduce costs and enable perovskite materials (PSK) as power sources for indoor internet of things (IoTs): 1) using dual perovskite absorber layer (PSK1/polyethylene glycol (PEG)/PSK2) to replace both the absorber and hole transport layers, 2) utilizing spray‐coating for perovskite deposition under ambient conditions with 45%–65% relative humidity (RH), and 3) replacing metal electrodes with carbon electrodes. The dual absorber layer improves charge transport, while the spray‐coating process minimizes solution waste, making large‐scale production more feasible. Additionally, the use of PEG as an interlayer effectively enhances defect passivation, improving charge transport and stability. The proposed carbon‐based device architecture offers the lowest material cost ($11.98 m−2) and the modified levelized cost of electricity for indoor light (m‐LCOE‐i) of 1.54 ¢ Wh−1, outperforming traditional Spiro‐OMeTAD/Au or carbon designs along with enhancing the commercial viability of PSCs. To demonstrate its practicality, connected PSCs are utilized to power IoT devices for over a month under typical laboratory lighting conditions (300–400 lux) at 40%–65% RH.

The research and development of hardware neuron technologies are accelerating at a very fast pace to provide for increased efficiency in performing artificial intelligence and autonomy functions beyond that possible with emulation on digital computers. Moreover, dedicated hardware for these biologically inspired functions creates capabilities not possible currently—especially regarding the integration of quantum information processing and advanced non-linear dynamical phenomenon necessary for bridging the gap between artificial and biological intelligence. A synthetic artificial neuron network functional in a regime where quantum information processes are co-integrated with spiking computation provides significant improvement in the capabilities of neuromorphic systems in performing artificial intelligence and autonomy tasks. This provides the ability to execute with the qubit coherence states and entanglement as well as in tandem to perform functions such as read-out and basic arithmetic with conventional spike-encoding. Ultimately, this enables the generation and computational processing of information packets with advanced capabilities and an increased level of security in their routing. We now use the dynamical pulse sequences generated by a memristive spiking neuron to drive synthetic neurons with built-in superconductor-ionic memories built in a lateral layout with integrated niobium metal electrodes as well as a gate terminal and an atomic layer deposited ionic barrier. The memories operate at very low voltage and with direct, and hysteretic Josephson tunneling and provide enhanced coherent properties enabling qubit behavior. We operated now specifically in the burst mode to drive the built-in reconfigurable qubit states and direct the resulting quantum trajectory. We analyze the new system with a Hamiltonian that considers an integrated rotational dependence, dependent on the unique co-integrated bursting mode spiking—and where the total above threshold spike-count is adjustable with variation of the level of coupling between the neurons. We then examined the impact of key parameters with a longer-term non-Markovian quantum memory and finally explored a process and algorithm for the generation of information packets with a coupled and entangled set of these artificial neuron-qubits that provides for a quantum process to define the level of regularity or awareness of the information packets. These results, therefore, enable quantum neural networks where qubit/quantum memory states and the associated quantum trajectories are now available for conducting advanced computational algorithms in conjunction with the information processing capabilities of general spiking neurons.

Minimizing Interfacial Resistance between Polymer Electrolytes and Metal Electrodes Using Applied Current

Neutral zinc–air batteries provide a viable alternative to alkaline systems by avoiding salt creep and carbonate passivation. Among candidate electrolytes, acetate-based formulations are particularly attractive for their low cost, sustainability, and compatibility with ambient-air operation. However, their widespread adoption is limited by a trade-off between two concentration regimes. Dilute electrolytes trigger side reactions and lack ionic strength, while concentrated ones suffer from kinetic limitations due to contact ion pair clustering. Here, we propose a cluster-level entropy enhancement strategy that optimizes the mesoscopic configuration of the electrolyte by disrupting large clusters in concentrated acetate electrolytes. This entropy enhancement improves zinc ion diffusivity and kinetics, mitigates interfacial concentration gradients, and maintains local ionic strength for fast electrochemical reactions, as evidenced by various synchrotron X-ray techniques and theoretical simulations. Consequently, the zinc–air batteries in neutral electrolyte deliver over 1800 hours at 0.1 mA cm-2 (1 mAh cm-2, 61.4% round-trip efficiency) and 500 hours at 1 mA cm-2 (12 mAh cm-2, 51.2% round-trip efficiency) in ambient air. This study extends the application of sustainable acetate electrolytes in neutral zinc–air batteries and illustrates a mesoscopic tuning approach applicable to aqueous energy systems with metal electrodes and concentrated solvents.

Selective electrochemical detection of cannabidiol (CBD) and tetrahydrocannabinol (THC) at molecular-imprinted mesoporous Pt-Ir surfaces.

Herein, we report a non-enzymatic paper-based device for selective electrochemical detection of creatinine. This work demonstrates three modification strategies adopted for the paper-based electrochemical sensing device (PESD) for the detection of creatinine. Copper, a non-enzymatic metal electrode, was fabricated on the Whatman paper without sophisticated instrumentation. The fabricated pristine non-enzymatic PESD could detect creatinine in the linear range 10 µM to 90 µM with a detection limit of 6.6 µM. Further, the electrode and Whatman paper were modified with silver to improve the sensitivity of PESD towards creatinine. Firstly, the working electrodes were modified by the Scotch tape strategy via galvanic displacement of Ag on Cu. The Ag-modified Cu electrodes were stuck on the Whatman paper, which sensitized the creatinine in the linear range 10 nM to 240 nM with a detection limit of 0.089 nM. Secondly, the Whatman paper was modified by mussel-inspired soak, polymerize, and then reduction of silver on the paper. The modified paper works similarly to the modified electrode with Ag in the linear range 10 nM to 90 nM with a detection limit of 2.5 nM. Further, the fabricated pristine PESD was tested for Jaffe's inspired indirect electrochemical detection of creatinine in the linear range 10 µM to 100 µM with a detection limit of 6.4 µM. The sensitivity of the fabricated pristine PESD was improved from µM to nM by adopting modification strategies. The reported PESD with the least interference from the co-existing biomolecules has the potential applicability of monitoring creatinine in urine sample analysis.

Nowadays hydrogel microparticles find numerous applications in material science and biological engineering such as drug delivery systems, cell carriers, etc. Droplet microfluidics provides an efficient tool for producing monodisperse microparticles, however, optimization of synthesis conditions remains challenging. Here, we developed a simple and easy-to-use method for in situ visual assessment or quantitative characterization of hydrogel crosslinking inside water-in-oil droplets. It is based on the difference in the merging dynamics of water-in-oil emulsions and crosslinked hydrogel microparticles in an external electric field and is compatible with various designs of microfluidic devices, types of materials and crosslinking mechanisms. Integrating a metal electrode into a microfluidic device with a flow-focusing droplet generator, we investigated how water-in-oil droplet merging occurs and then demonstrated that electrocoalescence can be used for in situ characterization of the polyacrylamide, polyethylene glycol diacrylate and alginate microparticles during their crosslinking. We suggest that implementation of the droplet electrocoalescence for in situ control of hydrogel crosslinking technique paves the way to achieve efficient, stable and reproducible synthesis of hydrogel microparticles, which is highly demanded for biomedical applications.

Reverse electrodialysis (RED) enables the efficient conversion of the chemical potential difference between seawater and freshwater into electricity while simultaneously facilitating hydrogen production for integrated energy utilization. Nevertheless, the widespread deployment of RED remains constrained by the reliance on ruthenium–iridium-coated electrodes, which are expensive and resource-limited. This study proposes the adoption of titanium-based redox electrodes as a replacement for traditional precious metal electrodes and employs a novel spike structure to accelerate hydrogen bubble detachment. The electrochemical performance of titanium electrodes in an RED hydrogen production system was systematically evaluated experimentally. The influences of several parameters on the RED system performance were systematically examined under these operating conditions, including the ruthenium–iridium catalytic layer, operating temperature (15 to 45 °C), electrode rinse solution (ERS) concentration (0.1 to 0.7 M), and flow rate (50 to 130 mL·min−1). Experimental results demonstrate that optimized titanium redox electrodes maintain high electrocatalytic activity while significantly reducing system costs. Under optimal conditions, the hydrogen yield of the Ti redox electrode reached 89.7% of that achieved with the mesh titanium plate coated oxide iridium and oxide ruthenium as electrodes, while the electrode cost was reduced by more than 60%. This is also one of the cost-cutting solutions adopted by RED for its development.