Poly(3,4-ethyleneldioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) and poly[bis(4-phenyl) (2,4,6-trimethylphenyl)amine] (PTAA) are two common hole transport materials (HTMs) widely used in inverted perovskite solar cells (PSCs). However, they suffer from limitations: PEDOT:PSS exhibits inherent acidity and hydrophilicity, while PTAA shows low conductivity and hydrophobicity. To address this, we introduced PEDOT:PSS into the PTAA precursor solution. Owing to the self-assembly behavior of the hybrid polymer in the solvent, some conductive PEDOT molecular chains liberated from the PEDOT:PSS macromolecular chains. These liberated conductive PEDOT molecules subsequently bind to PTAA via N-S bonds, forming a novel PTAA:PEDOT (P-PTAA) polymer. The hybrid HTL leverages the conductive PEDOT:PSS and the newly formed P-PTAA molecular chains to bridge hydrophobic PTAA domains, thereby establishing a continuous charge transport pathway. Consequently, both conductivity and wettability of the PTAA-based hole transport layer (HTL) are enhanced. This optimization simultaneously improves perovskite crystal quality and facilitates charge transfer between the HTL and perovskite layer, resulting in significantly improved photoelectric conversion efficiency and stability of Sn-Pb NBG PSCs. Ultimately, we achieved an efficiency of 21.12% in inverted Sn-Pb NBG PSCs. Furthermore, a four-terminal (4-T) all-perovskite tandem solar cell (APTSC), constructed by coupling this device with a semi-transparent wide-bandgap (WBG) PSC, exhibited efficiencies exceeding 24%. Remarkably, the 4-T tandem device retained its initial PCE without degradation after 1200 h of storage, demonstrating exceptional stability for 4-T APTSCs.

A novel magnetic carboxymethyl chitosan/polyacrylic acid (Fe 3 O 4 /CMC/PAA) hydrogel adsorbent was successfully synthesized via free radical polymerization for malachite green (MG) dye removal from wastewater. Comprehensive characterization through FT-IR, XRD, SEM, and VSM confirmed its porous network structure containing abundant functional groups (-OH, -COOH, -NH₂) and superparamagnetic properties (1.8 emu/g saturation magnetization). The adsorbent exhibited optimal performance at pH 10, achieving a maximum adsorption capacity of 397.73 mg/g. The adsorption mechanism followed pseudo-second-order kinetics and the Langmuir isotherm model, indicating chemically controlled monolayer adsorption. Thermodynamic analysis revealed the spontaneous (ΔG < 0) and endothermic (ΔH > 0) nature of the process. After five regeneration cycles, the material maintained 86.7% removal efficiency, demonstrating excellent reusability. This magnetic hydrogel combines high adsorption capacity with rapid magnetic separation capability, offering significant potential for practical dye wastewater treatment applications. The integrated properties of efficient contaminant removal, facile recovery, and stable regeneration performance position it as a promising alternative to conventional adsorbents.

This study employs first-principles calculations to systematically investigate the electrochemical performance of the two-dimensional MXene material Mo3N2 as an anode for lithium-ion batteries, with a focus on the effects of surface functional groups (-O and -OH) and Mo vacancies. The results show that pristine Mo3N2 exhibits intrinsic metallicity, a low Li-ion diffusion barrier (0.058 eV), a theoretical capacity of 339 mAh g-1, and a suitable average open-circuit voltage of 0.45 V. However, surface functionalization significantly alters these properties: -O termination increases the diffusion barrier to 0.307 eV, while -OH reduces it to 0.029 eV; the capacity decreases to 308 mAh g-1 for Mo3N2O2 and 191 mAh g-1 for Mo3N2(OH)2. Mo vacancies are found to be easily formed (formation energy: -1.08 eV) and they create a strong trapping effect that substantially hinders Li-ion diffusion. These findings reveal that the electrochemical performance of Mo3N2 is highly tunable by surface chemistry, and optimization requires careful control of termination groups and defect structures.

The fundamental driving force and mechanism of water/hydrophobic interface chemistry remain debated. Contact-electro-catalysis (CEC), which converts mechanical energy into extensive interfacial charge separation in water, has introduced a new perspective. However, the introduction of ultrasonication has prompted a renewed scrutiny of its reaction mechanisms. At the same time, those studies have no quantification assessment due to the calculation difficulty of energy-to-electron conversion. Here, we investigate radical-mediated advanced oxidation processes (AOPs), at a macroscopic water/hydrophobic interface without violent energy input. Theoretical analysis reveals that the flexoelectric response of interfacial water creates a local polarization field that is strong enough to separate electrons from H2O or OH-. These interfacial energy fluctuations are thus proposed as the primary origin of the reaction driving force. Furthermore, by leveraging a quantifiable press-and-release device, we establish a methodological framework for evaluating the triboelectric electron utilization ratio in CEC, yielding a first estimation of ∼44.8%. This work provides new insights into both interfacial AOPs and contact electrification at water/hydrophobic interfaces. This breakthrough offers a new and sustainable strategy for low-energy water purification and pollutant degradation, and also provides a basis for future precise quantification of electron utilization efficiency.

Negative photoconductance memory (NPM) shows great potential for use in neuromorphic in-sensor computing for visual information processing, but its tunability remains a challenge. Here, we propose a C60 optoelectronic device that can provide tunable NPM behavior, enabling the developed device to faithfully mimic synapse plasticity, including short-and long-term memories. The NPM effect can be flexibly controlled by multiple light-stimulus parameters to construct memory states. Light-driven reconfiguration of the trap centers is responsible for the NPM effect, and the deexcitation of photogenerated holes and electrons is responsible for the memory fading effect. This work lays a significant foundation relating to hardware and NPM tunability for neuromorphic in-sensor computing.

This study addresses the key issues existing in molybdenum disulfide (MoS2) nanoparticles in photocatalytic applications, such as limited visible light absorption range, high carrier recombination rate, and insufficient active sites, and proposes an innovative composite modification strategy. By co-introducing reduced graphene oxide (RGO) with excellent electrical conductivity and black phosphorus quantum dots (BP QDs) with high carrier mobility into the MoS2 matrix, the (BP QDs (0.05 wt%) + RGO (4 wt%))@MoS2 ternary nanocomposites were successfully constructed. In terms of material preparation, the MoS2 substrate was synthesized by the hydrothermal method, combined with the liquid-phase dissolution method to prepare RGO and BP QDs. The characterization results show that the composite material exhibits significantly enhanced photocatalytic performance: In the photocatalytic degradation experiments, the MoS2 ternary heterojunction nanocomposite modified with RGO (4 wt%) and BP quantum dots (0.05 wt%) exhibited the highest photocatalytic activity among all samples. It achieved 99 % degradation of Rhodamine B (RhB) within 8 min, 95.3 % degradation of formaldehyde (HCHO) within 30 min, and 98 % degradation of diclofenac (DCF) within 6 min. The performance improvement mechanism mainly stems from the following three aspects: (1) The introduction of RGO effectively promotes charge separation and transport; (2) BP QDs provides abundant active sites; (3) The synergistic effect of the three significantly prolongs the lifetime of photogenerated carriers. This research provides a new idea for the development of efficient and stable broad-spectrum photocatalytic systems. Its innovation points are mainly reflected in: (1) Wide-spectrum response has been achieved through band engineering optimization; (2) A multidimensional charge transport channel was constructed; (3) A multi-active site synergistic catalytic mechanism was established. It provides a new idea for the development of efficient and stable photocatalytic degradation systems for various organic pollutants.

The electronic structure, magnetic properties, and external-field modulation behavior of the Janus MXene CrScCO2 aresystematically studied via density functional theory (DFT + U) and HSE06 calculations. Hubbard U parameters are set to U Cr = 3.5 eV and U Sc = 0 eV based on systematic tests of their effects on electronic and magnetic properties. At equilibrium, DFT+U calculations suggest a nearly gapless state (approximately 0.016 eV). In contrast, the more accurate hybrid functional HSE06 yields a small but finite band gap of 0.677 eV, confirming the semiconducting nature of the ground state. This quantitative difference reflects the distinct treatments of electron correlation. More importantly, regardless of the quantitative method-dependence, the band structure of CrScCO2 proves to be highly tunable by external fields. Both strain and a vertical electric field can effectively modulate and even close this gap, driving the system into half-metallic and, crucially, spin-gapless semiconductor (SGS) states. This demonstrates that although CrScCO2 exhibits a moderate band gap at the hybrid functional level, its electronic structure is susceptible to external perturbations, enabling a transition into the SGS regime under appropriate modulation. This material demonstrates good thermal stability at room temperature, showing potential as a tunable functional material in low-power spintronic devices.

A fully optical control device can provide positive photoconductance memory (PPM) and negative photoconductance memory (NPM), enabling the device to execute fully optical computing. However, the NPM triggering involves complex modulation and small ratio. Here, we propose an oxidized GQD-FeOx heterojunction optoelectronic memory that integrates the PPM and NPM effects into the same cell, thus building all-in-one fully optical computing. The PPM originates from the electrons that are generated from neutral V-o sites under low resistance state while the NPM effect with an ultrahigh ratio of 10(6) is contributed by the increase in neutral V-o under high resistance state. The theory calculation illustrates that the NPM effect heavily relies on the geometric confinement and partial reflections of the oxidized GQDs and the localization effect of the FeOx. This work provides a significant structure design and photogenerated electron dynamic for the development of fully optical computing.

The buried interface of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) PEDOT:PSS/perovskite in inverted perovskite solar cells (PSCs) presents several challenges, such as low work function (WF) causing energy level mismatch, poor conductivity limiting transport, and defect states inducing nonradiative recombination and carrier loss. To address these issues, this work introduced the interfacial modifier sodium acetate (NaOAc) into the PEDOT:PSS precursor solution, enabling molecular-level modulation of the physicochemical properties of the buried interface. Experimental results confirm that sodium ions (Na+) preferentially coordinate with the sulfonic acid groups at the termini of PEDOT:PSS molecular chains, displacing the nonconductive H+ and forming a more ordered molecular packing. This ion-exchange process increases the WF of the PEDOT:PSS film at the buried interface (from 4.27 to 4.38 eV) while enhancing its conductivity by 55%, effectively optimizing interfacial energy level alignment and reducing the hole transport barrier. More importantly, the residual acetate anions exert an in situ passivation effect during the subsequent perovskite crystallization, coordinating with unreacted Pb2+ at the buried interface, thereby reducing the defect density by 11%. The optimized buried interface exhibits excellent carrier dynamics characteristics, with photoluminescence spectroscopy and electrochemical impedance spectroscopy confirming that the sodium acetate treated PEDOT:PSS buried interface reduces nonradiative recombination and enhances charge extraction. As a result, the device fill factor exceeds 81.7%, and the efficiency improves to 19.38%. When applied to mixed tin lead perovskite (FASnI3)0.6(MAPbI3)0.4, the optimized buried interface further demonstrates universal advantages, achieving an efficiency exceeding 21%. This work reveals the synergistic modulation mechanism of ion coordination engineering at the buried interface on carrier transport and recombination dynamics, providing a new paradigm for the development of high-performance inverted perovskite solar cells.

A novel ternary heterojunction photocatalyst, composed of TiO2 microspheres co-modified with CuS nanoparticles (NPs) and black phosphorus quantum dots (BP QDs), was successfully synthesized via an in-situ precipitation and ultrasound-assisted hydrothermal method. Comprehensive characterization (XRD, SEM/TEM, XPS, EDS, UV-Vis DRS, EIS, PL, BET, FTIR) confirmed the uniform dispersion of CuS NPs and BP QDs on the TiO2 surface and the formation of an effective p-n heterojunction. This synergistic integration significantly narrows the composite bandgap, extends the solar spectral response into the visible region, enhances charge carrier separation, and suppresses charge recombination. As a result, the optimized ternary composites exhibit dramatically superior photocatalytic activity compared to bare TiO2 or binary counterparts (CuS@TiO2, BP QDs@TiO2). Their photocatalytic performance was evaluated through the degradation of Rhodamine B (RhB) and Tetracycline (TC). Specifically, ((CuS (3 %)-BP QDs (2 %))@TiO2) achieved 99.8 % decolorization of RhB within 30 min, with iEESI-MS analysis and carbon content experiments confirming the generation of intermediates and mineralization into small molecules, thereby verifying the photocatalytic degradation of RhB. Meanwhile, ((CuS (3 %) NPs-BP QDs (3 %))@TiO2) achieved 91.9 % degradation of TC within 50 min. This outstanding performance is attributed to optimal band alignment, efficient visible-light harvesting, prolonged charge carrier lifetime, and abundant active sites generated at the stable ternary interface.

First-principles calculations are performed to systematically explore the electrochemical performance of 2D MXene Mo 3 N 2 as a Li-ion battery anode, focusing on impacts of surface functional groups (–O, –OH) and Mo vacancies.

Reservoir computing (RC) system based on photoelectronic memristors has attracted increasing attention because of its inherently nonlinearity, history-dependent dynamics, and fading memory for real-time processing complex task. However, relying on its natural relaxation process leads to the RC system with low efficiency. Here, we propose an Au/CuI/TiOx/FTO heterojunction optoelectronic synergistic memristor and demonstrate its application as a single-node physical reservoir computing (PRC) system. The device synergistically integrates oxygen-vacancy migration in TiOx with the photosensitivity of CuI, enabling precise. This approach generates rich, high-dimensional reservoir states with enhanced separability. The memristor exhibits diverse synaptic plasticity and supports over 32 distinct conductance states (>5-bits precision). Furthermore, a predictive model was established to capture device dynamics, achieving an accuracy of 82.8% for the standard RC model, while the accuracy of the heterojunction memristor-assisted RC model increased to 97.26%. The research demonstrates that heterojunction optoelectronic collaborative memristors exhibit significant potential in efficient temporal encoding and high-precision single-node PRC, providing a promising solution for edge intelligence and low-power neuromorphic hardware.

Defects, humidity, and uncontrolled crystallization remain critical limitations for the perovskite photovoltaic performance. Fortunately, these issues can be addressed through additive engineering. However, it remains a challenge to develop a simple and efficient additive with the corresponding functional groups to simultaneously solve these problems. Herein, this goal was achieved by incorporating 6-maleimidocaproic acid (6-MCA) into the perovskite precursor solution. The functional groups (C═O) of 6-MCA coordinate with undercoordinated Pb2+ ions, effectively passivating defects in the perovskite film. Concurrently, they regulate the perovskite crystallization process to improve the film morphology by suppressing pinholes, enhancing crystallinity, enlarging grain size, and lowering roughness. Additionally, the hydrophobic alkyl chain of 6-MCA improves the moisture resistance of the perovskite film. As a result, the devices modified with 6-MCA achieved a champion power conversion efficiency (PCE) of 23.74% (compared to 20.38% for the control), with a high open-circuit voltage of 1.167 V and negligible hysteresis. More importantly, the 6-MCA molecule further enhanced the light, thermal, and environmental stabilities of the devices.

In this study, a novel magnetic carboxymethyl chitosan/graphene oxide composite aerogel (Fe3O4@PDA/CMC/GO) adsorbent was successfully synthesized and used to remove triphenylmethane dyes from aqueous solutions. The synthesized adsorbent was characterized by FT-IR, SEM, TEM, TG, XRD, VSM, and BET technology methods. The adsorption of triphenylmethane dyes (AF: acid fuchsin; CV: crystal violet; MG: malachite green,) on Fe3O4@PDA/CMC/GO aerogel was performed to optimize the parameters, including pH, initial dye concentration, adsorbent dose, adsorption time, and temperature. The adsorption mechanism explained by kinetic data shows that, compared with the pseudo-first-order kinetic model, the adsorption process of three triphenylmethane dyes is a pseudo-second-order kinetic model. The isotherm parameters confirm that the adsorption process follows multilayer adsorption on a heterogeneous surface, with maximum adsorption capacities of 425.9, 757.6, and 832.0 mg/g for AF, CV, and MG, respectively. The adsorption thermodynamic process of AF, CV, and MG shows a self-endothermic process. These results indicate that adsorption was affected by various parameters. The five cycles of adsorption-desorption indicate that the adsorbent can regenerate. The adsorption mechanism is the electrostatic attraction between the dye molecules and the adsorbent, hydrogen bonding, and pi-pi interaction.

In-sensor neuromorphic computing possesses great potential in in-sensor edge computing for massive image data processing, but today optoelectronic devices cannot meet the requirements on multifunction and high-precision computing. Here MoS2 heterojunction-based optoelectronic memory device is proposed that can integrate two modes, the dynamic (short-term memory, STM) and non-dynamic (long-term memory, LTM) into one unit to efficiently execute image processing. In the STM mode driven by negative bias, the memory device exhibits huge memory capacity, which enables the device to possess 128 photoconductance states that can supply 7-bit spatiotemporal feature encoding of reservoir computing. The LTM mode that the heterojunction is positive bias, the memory device with multiple stable photoconductance states can supply physically parallel and one-step hardware convolution acceleration. Under the photoconductance modulation mechanism, the energy consumption for a single convolutional kernel operation is approximate to 1.6 fJ. This result demonstrates that the type of optoelectronic memory can achieve energy efficiency advantages as well as enabling accelerated convolutional computing, yielding an accuracy 100% for 26-letter image classification. This work lays a significant foundation on emerging image sensors.

Single-electrode triboelectric nanogenerator (SE-TENG) is essentially useful when only one triboelectric electrode can connect to external load. Conventional metal electrodes are susceptible to corrosion in open environments characterized by high humidity and acidic or alkaline conditions. Thus, the material used for the triboelectric layer must exhibit robust resistance to environmental acids and alkalis. To achieve this target, advancements have been made to wrap up metal electrodes or substitute it with non-metallic conductive materials. However, the non-metallic conductive materials have not been explored their capabilities of acting as both electrodes and triboelectric layers. In this work, carboxylate cellulose nanofibers (CNF), graphene nanosheets (GN), and citric acid (CA) were utilized to create a conductive nanofiber/graphene (CNF/GN-CA) film with superior acid/alkali resistance. We develop a single-electrode mode TENG named CGC-TENG, in which this CNF/GN-CA worked as both an electrode and a triboelectric material. The CGC-TENG demonstrated stable output over 15,300 cycles and remained stable after 10 h immersion in pH = 1 and pH = 14 solutions, showing superior acid/alkali resistance. Based on the better performance of CNF/GN-CA film with long-term stability, CGC-TENG was demonstrated as a "trigger functional sensor" with rapid response speed (0.35 s) and short recovery time (0.25 s). Thus, the CGC-TENG holds significant promise for applications in human-computer interaction systems under various harsh environmental conditions.

Contact electrification (CE) and electrostatic induction (EI) are believed to be the core processes in classic liquid-solid triboelectric nanogenerators (L-S TENGs), including the classical transistor-like droplet-based electricity generator (DEG) and other forms of DEGs. Recently reported total current DEGs made full use of CE, EI, and charge transfer (CT) effects and realized the coupling of displacement and conducting currents. However, this method has only been revealed in special structures, which have limitations depending on the falling location of droplets. Here, we construct a press-release total current DEG (PRTC-DEG) using a single droplet of water to visually verify the universality of CT and the contribution of conducting current in the total current DEG. By simply squeezing and then releasing this PRTC-DEG, charges are squirted out to realize the separation of charges in space and time. The working mechanism of PRTC-DEG and the coupling between displacement current and conducting current are also demonstrated. In addition, the structural design proposed in this study alleviates the dependence of output on the falling location of droplets in DEG and provides a new working mode for DEG, which makes DEG expand to more scenarios.

Particulate matter (PM) pollution can lead to various diseases and poses a critical threat to human health, which can be effectively mitigated through high-voltage dust removal. The high voltage and low current output of triboelectric nanogenerators (TENGs) can avoid safety problems generated from normal high-voltage sources. However, conventional alternating current TENGs (AC-TENGs) are not a good choice for ionizing air without rectifiers. The newly developed electrostatic breakdown ternary direct-current TENG (EBT-DC-TENG) is a simple and low-cost structure to be used in dust removal. However, spark discharge occurs between the back electrodes of the EBT-DC-TENG when connected to heavy loads, which limits its high-voltage applications. Here, we improved its high-voltage application range by addressing this issue. By integrating the optimized EBT-DC-TENG with a dust removal device, we have demonstrated an effective and safe indoor dust removal system. The optimized EBT-DC-TENG achieves a maximum open-circuit voltage (Voc) of 18 kV and generates 1.28 x 1013 negative air ions per second by driving copper needles at 100 rpm. This system can reduce PM2.5 concentration from 999 to 50 mu g/m3 in just 300 s within an 18,000 cm3 air chamber. It offers a safe and sustainable solution for improving indoor air quality to protect human health.

A homojunction memristor with a double layer of resistive function was prepared by the sol-gel method. Electrical measurements show that the F-doped SnO2 (FTO)/TiOx/Au memristor exhibits typical volatility, endowing the device with excellent synaptic properties. By analyzing the voltammetry characteristics of the FTO/TiOx/Au memristor, it is suggested that the titanium oxide homomode memristor exhibits self-rectifying and analog switching characteristics, which can provide inherent advantages for large-scale array integration for high-efficiency bioinspired computing as well as in-sensing artificial vision computing. For its electric switchings, this photoelectronic memristor holds a low operating power consumption, dual-pulse dissimilation learning rules that can faithfully simulate the multifunction of synapses, and learning-forgetting-relearning rules. In terms of optical properties, our memristor exhibits excellent positive photoconductance memory effect (PPM), and the conductance states are sensitive to the light intensity and frequency, significantly presenting synaptic habituation characteristics that are fully controlled. More importantly, integrating the light and electric stimuli control, the conductance weight can be highly linear update, largely accelerating training processing for the reservoir computing (RC). Recognition of image and speech signal processing as the artificial intelligence task is demonstrated using our photoelectronic TiOx memristor, showing over 90% accuracy after several epoch training. This in-sensor reservoir computing based on self-rectifying TiOx photosynapse gives a brand-new horizon on neuromorphic vision computing in future edge computing.

The geometrical structure, stability, electronic properties, and hydrogen storage capabilities of a titanium-doped B7 cluster was calculated using density functional theory computations. The results show that the TiB7 cluster is predicted to be stable under near-ambient conditions based on an ab initio molecular dynamic simulation. The transition state analysis found that the H2 molecule can dissociate on the TIB7 cluster surface to form a hydride cluster. The Ti atom within the TiB7 cluster demonstrates an impressive capacity to adsorb up to five H2 molecules, achieving a peak hydrogen storage mass fraction of 7.5%. It is worth noting that the average adsorption energy of H2 molecules is 0.27–0.32 eV, which shows that these configurations are suited for reversible hydrogen storage under mild temperature and pressure regimes. In addition, calculations found that both polarization and hybridization mechanisms play pivotal roles in facilitating the adsorption of H2 molecules onto the TiB7 cluster. Our research results show that the TiB7 cluster has potential for hydrogen storage applications under near-ambient conditions.