SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4312-8
Carbazole phosphonic acid-based self-assembled molecules (SAMs) serve as effective hole-selective contacts in organic solar cells (OSCs), yet their molecular packing and aggregation behavior during solution processing remain difficult to control, limiting hole transport and device durability. This study introduces a polymer-templated self-assembly strategy to regulate molecular organization by one-step spin-coating a blend of [2-(9H-carbazol-9-yl)ethyl]phosphonic acid (2PACz) and PEDOT:PSS. The polycationic PEDOT+ framework acts as a template, providing supplementary anchoring interactions that promote ordered molecular arrangement and suppress unfavorable agglomeration. Pronounced face-on orientation and enhanced structural coherence of 2PACz within the polymer matrix are evidenced. The templated ordering improves vertical charge transport, interfacial homogeneity, and film morphology. In binary OSCs based on PM6:BTP-eC9, the hybrid hole transport layers (HTLs) yield a champion power conversion efficiency (PCE) of 20.26%, with an open-circuit voltage (VOC) of 0.874 V, a short-circuit current (JSC) of 28.97 mA cm-2, and a fill factor (FF) of 80.02%. Devices incorporating hybrid HTLs exhibit exceptional operational stability, retaining over 90% of initial PCE (T90) after 405 h of continuous operation at the maximum power point (MPP). This work establishes polymer-directed SAM assembly as a scalable route to simultaneously optimize nanoscale molecular packing, interfacial energetics, and long-term device stability for high-performance OSCs.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4391-5
Self-assembled monolayers (SAMs) enable precise tuning of the ITO/active layer interfacial dipole, yet their impact on the crystallization kinetics of the overlying active layer remains poorly understood, limiting their potential in high-efficiency organic solar cells. This study introduces THPC, a self-assembling material with an extended carbazole core and heteroatom substitution, as a hole transport layer (HTL). Unlike the hydrophilic PEDOT:PSS, THPC exhibits low surface energy, providing a favorable template that extends the film formation kinetics of the PM6:L8-BO-X blend by nearly 1.4 times, mitigating the explosive nucleation prevalent in PM6-based active layers. This promotes a highly ordered fibrous morphology and enhances vertical phase separation. The deep work function of THPC (5.32 eV) increases the built-in potential, reduces interfacial trap density, and facilitates charge extraction. Consequently, non-radiative recombination loss decreases from 0.243 eV to 0.227 eV, and the open-circuit voltage rises from 0.866 V to 0.883 V, yielding a power conversion efficiency (PCE) of 20.19%, outperforming the PEDOT:PSS control (18.67%). This finding is confirmed across multiple Y-series acceptors, all approaching 20% PCE. Notably, the D18:L8-BO system achieves a PCE of 20.55%, demonstrating broad applicability.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4342-3
Electron acceptors containing single-bond-linked building blocks offer attractive advantages for organic solar cells owing to their synthetic simplicity and structural modularity. However, achieving backbone planarity without compromising electronic compatibility remains a persistent challenge. Conventional conformational locking strategies based on alkoxy substitution can effectively suppress torsional freedom but often elevate the highest occupied molecular orbital energy level, limiting compatibility with widely used donor polymers. Here, we report a partially fused electron acceptor design that achieves intrinsic backbone planarity through heterocycle selection rather than side-chain-assisted conformational locking. By incorporating a benzodifuran core and furan-thiophene linkages, the resulting acceptors exhibit a near-coplanar backbone geometry as revealed by density functional theory calculations, without the need for electronically perturbing alkoxy groups. Devices based on the optimized acceptor (BDF-1) deliver a binary power conversion efficiency of 12.2%, and further improvement to 19.5% is achieved in a ternary blend with PM6 and BTP-eC9. The enhanced performance is accompanied by favorable morphology, balanced charge transport, and suppressed recombination losses. This work provides molecular-level insight into partially fused acceptor design and demonstrates that heteroatom-guided conformational locking offers a viable strategy for expanding the design space of acceptors with single-bond-linked building blocks while maintaining compatibility with mainstream donor systems.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3828-y
The rapid development of halogen-free solvent-processed organic solar cells (OSCs) has been enabled by side-chain modification on small molecular acceptors, yet the structure-property relationship between inner/outer chain lengths and device performance remains unclear. This study systematically investigates five non-fullerene acceptors (NFAs) with varied side-chain positions and architectures, clarifying the effects of inner versus outer modifications on energy level distribution, film morphology, and carrier dynamics. Notably, longer alkyl chains are not always superior; excessive solubility reduces molecular packing order. The optimized PM6:BTP-TO12 blend achieves a power conversion efficiency (PCE) of 18.2%. Furthermore, ternary OSCs incorporating BTP-TO12 as a guest material reach a remarkable PCE of 19.5%, enhancing the performance of L8-BO-based devices processed with green solvents. This improvement is attributed to the low energy loss and well-controlled aggregation behavior of BTP-TO12 in environmentally friendly toluene. These findings establish a design guideline for side-chain engineering in green-solvent-processed OSCs, achieving state-of-the-art performance and advancing scalable, eco-compatible photovoltaic technologies.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3628-3
The solution aggregation structures of conjugated polymers are pivotal in determining their film morphology and optoelectronic properties, yet the relationship between solution aggregation and device performance remains elusive in organic photodiode (OPD) systems. Herein, we introduce the first examination of solution aggregation structures of all-polymer OPD blends, with a focus on how molecular entanglement modulates aggregation behavior and subsequent photodiode performance of low-cost poly(3-pentylthiophene). Using small-angle neutron scattering and freeze-dried imaging, we provide a comprehensive analysis of the solution-state aggregation behavior of poly(3-pentylthiophene) and its evolution in the blend, revealing profound impacts on film morphology and device performance. With finely optimized aggregation, the resulting all-polymer OPD achieves a record-high specific detectivity of ~4×10^13 Jones at zero bias, outperforming all bulk heterojunction (BHJ)-type self-powered OPDs reported to date. This device also demonstrates remarkable thermal stability, with negligible performance degradation after over 800 h of thermal annealing at 85 °C. Furthermore, the self-powered OPD exhibits excellent performance across a broad spectral range, enabling its application in both water quality monitoring and biosensing. This work offers new insights into the solution aggregation behavior of conjugated polymers in OPDs and highlights the importance of resolving solution aggregation in optimizing device function.
New Carbon Materials•2026•DOI: 10.1016/S1872-5805(26)61067-0
The reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in wastewater faces challenges in conversion rate and stability. We used coal tar pitch-based activated carbon fibers (ACFs) as a support material for loading transition metal catalysts to catalyze the reaction. Fe–Ni nanoparticles were loaded onto the coal tar pitch-based ACF through a simple hydrothermal–calcination method. The results showed that the coal tar pitch-based ACFs had a high specific surface area (1847 m2/g) and a unique microporous structure, and the metals were loaded onto them. The average diameter of the nanoparticles formed was approximately 100 nm. By changing the metal loading it was shown that the performance was best when the reaction temperature was 45 °C, the 4-NP concentration was 2.5 mmol L−1, and the molar concentration ratio of Fe3+ to Ni2+ was 1∶2 (total 7.5 mmol L−1). Under these conditions the conversion efficiency reached 99.88%. Fe2.5/Ni5–ACF exhibited excellent catalytic activity and recyclability for 4-NP after five cycles. The inherent advantages of nanomaterials increase the catalytic efficiency of 4-NP, which expands the use of coal tar pitch-based ACFs as supporting materials in the field of catalysis.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3805-1
The sluggish kinetics of oxygen reduction and evolution reactions (ORR/OER) at the air electrode impede the practical deployment of fiber zinc-air batteries (FZABs) for wearable electronics. Conventional bifunctional catalysts suffer from an inherent activity trade-off due to the distinct mechanisms of ORR and OER. Here, we propose a spatial decoupling strategy to overcome this limitation by engineering isolated Fe single atoms and Fe–Ir dual-atom pairs on a nitrogen-doped carbon matrix (Fe/FeIr-NC). In this architecture, Fe single atoms serve as ORR centers, while Fe–Ir pairs with tunable spacing are tailored for OER, enabling complete functional separation and independent optimization. The catalyst exhibits an ORR half-wave potential of 0.91 V and an OER overpotential of 250 mV at 10 mA cm−2, yielding a record-low bifunctional gap (ΔE = 0.57 V) that outperforms all reported single- and dual-atom catalysts. A flexible fiber zinc-air battery based on this catalyst delivers a peak power density of 3920 W kg−1, along with a 1.4-fold increase in energy efficiency and a 2.6-fold extension in cycle life compared to the commercial Pt/C + IrO2 benchmark. This work not only breaks the traditional activity trade-off in bifunctional catalysis but also offers a promising route toward high-performance power sources for wearable electronics.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2024102403
The rapid combustion of soot at low temperatures is critical for diesel engine cold-start emission control. This study investigates the effects of water vapor (H2O) and nitrogen oxides (NOx) on electricity-pulse-sparked catalysis (EPSC) for soot combustion over a ceramic filter paper-based potassium-supported antimony-doped tin oxide (K/ATO/CP) monolithic catalyst. Under EPSC with 2000 J pulses, the presence of H2O and NOx adversely affected soot combustion performance, yet average reaction rates remained high at 12.0 μmol·gcat−1·s−1 and 9.53 μmol·gcat−1·s−1, respectively, exceeding conventional thermal catalysis (<8 μmol·gcat−1·s−1). In situ Raman and concentration profiles revealed that electricity pulses promote rapid H2O desorption, effectively alleviating H2O poisoning and restoring catalyst activity. In contrast, NOx adsorption forms stable nitrates (e.g., KNO3) that desorb slower than the soot combustion process, leading to incomplete recovery of activity. These findings highlight the importance of adsorbate desorption kinetics in EPSC and suggest that using weakly basic alkaline-earth metals (e.g., Mg, Ca, Sr) with lower nitrate decomposition temperatures could mitigate NOx poisoning. The results provide guidance for advancing EPSC technology in hybrid vehicle exhaust aftertreatment systems.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.1016/S1872-5813(26)60638-X
The extensive emission of greenhouse gases, primarily CO2 and CH4, has contributed to intensified global warming. Dry reforming of methane (DRM, CH4 + CO2 → 2CO + 2H2) offers a pathway for the synergistic utilization of these two major greenhouse gases, presenting important implications for both environmental protection and energy sustainability. However, the catalysts still face challenges such as carbon deposition and sintering of active metals, which adversely affect the catalytic performance and long-term stability. Oxygen vacancies, which are common lattice defects in metal oxides, have been demonstrated to improve the DRM performance by modulating the surface and interfacial properties of the catalysts. This review systematically summarizes research progresses in DRM over the past decade, outlines the major challenges and emphasizes the critical roles of oxygen vacancies in suppressing carbon deposition and inhibiting metal sintering. Furthermore, the mechanisms through which oxygen vacancies influence DRM reactions are discussed, combined with their formation pathways and regulation strategies. These insights provide essential theoretical foundations for the design and synthesis of highly efficient and stable DRM catalysts.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3480-1
Electrochemical nitrate reduction to ammonia (NRA) offers a sustainable route for wastewater denitrification and decentralized ammonia synthesis, but its practical deployment is constrained by sluggish reaction kinetics and the competing hydrogen evolution reaction (HER). Monometallic Cu electrocatalysts, despite favorable nitrate adsorption and tunable electronic structure, exhibit weak H* adsorption, limiting the hydrogen radical-mediated pathway that suppresses HER at low overpotentials. Here, highly dispersed Cu/WO3 heterojunctions supported on carbon fiber were synthesized via carbothermal shock reduction, which reaches ultra-high temperatures within seconds and prevents active-site accumulation. The optimal Cu/WO3 heterojunction achieves an ammonia yield rate of 158.66 μmol h−1 cm−2 and a Faradaic efficiency of 98.27%. Electron paramagnetic resonance and density functional theory calculations reveal a synergistic mechanism: Cu sites preferentially adsorb NO3−, while adjacent WO3 sites accelerate water dissociation to generate hydrogen radicals (H*), which drive the continuous hydrogenation of nitrate to ammonia. This spatial separation of functions promotes the H*-mediated pathway and suppresses HER. The work establishes a heterojunction design strategy for non-precious-metal NRA electrocatalysts, enabling high-rate, high-selectivity ammonia production under mild conditions.