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CATALYSIS TODAY · 2026 · IF 5.1

Periodic p-orbital regulation induces volcano-type photocatalytic H2 and H2O2 production in an alkaline earth metal–doped g-C3N4 series

Wenxin Jin,Yanting Dou,Baotong Xu,Yuanjin Wang,Qin Zheng,Likun Sheng,Yu Gao,Yang Mu,Guiyan Zhao,Jiqi Zheng,Fu Ding,Yaguang Sun,Yanfeng Bi,Zhenhe Xu

Periodic trends in elemental properties provide a fundamental framework for understanding catalytic behavior, yet their role in photocatalysis remains largely unexplored at the orbital-interaction level. Here, a systematic series of alkaline earth metal (Mg, Ca, Sr, and Ba)-doped graphitic carbon nitride (g-C 3 N 4 ) photocatalysts is developed to reveal how periodic electronic characteristics govern photocatalytic performance. Despite the similar chemical nature of the dopants, both H 2 evolution and H 2 O 2 production exhibit a pronounced volcano-type dependence along the Mg-Ca-Sr-Ba sequence under visible light, with Sr-doped g-C 3 N 4 delivering the optimal performance (329.86 μmol g −1 h −1 for H 2 evolution and 1363.58 μmol g −1 h −1 for H 2 O 2 production). This periodic behavior originates from an orbital-synergy mechanism between the outermost p orbitals of alkaline earth metals and the intrinsic C/N 2 p electronic states of g-C 3 N 4 . Moderate p -orbital reactivity enables enhanced π-conjugation, improved charge delocalization, and reduced kinetic barriers for key reaction intermediates, whereas excessive orbital perturbation disrupts electronic balance and deteriorates catalytic efficiency. These findings establish a periodic orbital-regulation principle governing volcano-type photocatalysis and provide a general design framework linking elemental periodicity with semiconductor catalyst optimization.

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ACS Applied Materials & Interfaces · 2026 · IF 7.8

Substituent-Directed Interception of Energetic Electrons in Poly(vinylidene fluoride)-Based Dielectric Film via p-π Conjugated Traps and Sacrificial Ionization

Ziyue Wang,Wanbiao Hu

Poly(vinylidene fluoride) (PVDF)-based polymer dielectric films suffer intrinsic breakdown initiated by high-energy electrons. Prevailing approaches relying on passive charge confinement or physical barriers cannot prevent initial bond dissociation events. Herein, a molecular design strategy employing tailored monosubstituted naphthalene derivatives achieves active electron energy dissipation within PVDF matrices. Systematic substitution control reveals the competitive dynamics between deep electron trapping in low-lying p-π conjugated orbitals (enhanced by electron-withdrawing halogens) and sacrificial ionization promoted by electron-donating groups that reduce ionization energy. These mechanisms exhibit unexpected synergy rather than competition. The optimal system, 4-Br-1-NH2Naph/PVDF, exploits this cooperative effect: the electron-donating amino group enables preferential ionization under high fields, consuming primary electron energy to generate stable cations that recapture secondary electrons, while the bromine substituent provides supplementary deep trapping. This dual-pathway interception suppresses breakdown initiation, achieving a high discharged energy density of 29.1 J cm–3 in an all-organic PVDF composite and establishing a molecular roadmap for extreme-condition capacitive storage.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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BIORESOURCE TECHNOLOGY · 2026 · IF 8.2

Sr-enriched R-P type layered perovskite for biomass to syngas conversion with exceptional efficiency and selectivity via chemical looping scheme

Guangyao Yang,Bingjie Liu,Shiyuan Xie,Yongqing Xu,Jingbo Jia,Hui Zhou,Dongwu Chang,Changfu You,Haiming Wang,Junfu Lyu

Biomass chemical looping gasification (BCLG) demonstrates great potential to help address global environmental issues and green energy demands. Yet it remains a challenge to develop novel oxygen carriers (OCs) in BCLG to break the trade-off between the biomass conversion and syngas selectivity with high syngas yield. In this study, Sr–Fe OCs labelled as S3F2, S4F2, and S5F2, containing primarily of Ruddlesden–Popper (R-P) layered perovskite structured Sr 3 Fe 2 O 7-x , were synthesized. Sr 3 Fe 2 O 7-x thermodynamically favors the selective formation of CO over CO 2 , conferring its inherently high CO selectivity. Both the interstitial oxygen and lattice oxygen were found to contribute to the gasification process, which presented enhanced activity and oxygen uncoupling characteristic. The excessive Sr incorporation in S4F2 and S5F2 further increased the oxygen vacancies of Sr 3 Fe 2 O 7-x , and caused a much higher oxygen mobility and oxygen release capacity (S5F2 > S4F2 > S3F2). Additional Sr in S5F2 formed Sr(OH) 2 ·H 2 O on Sr 3 Fe 2 O 7-x surface, which acted as additional oxygen source for gasification and also suppressed the overoxidation of syngas product on the surface. These combined features enabled the most favorable performance of S5F2 with a carbon conversion of 91%, CO selectivity of 94%, and syngas yield of 1208 mL/g at 900 °C, much higher than the Fe 2 O 3 benchmark (77.8%, 59.8%, and 557.9 mL/g, respectively).

CAS / MDL: 1309-37-1 1633-05-2
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2026 · IF 5.4

N,P,S co-doped carbon dots as a eco-friendly and novel inhibitor for metal protection: Experimental and simulation analysis

Wu Peng,Shiyu Zheng,Ruiqin Zhang,Xiaolin Yi,Fang Wu,Jingwei Hu,Yuwei Ye

Copper corrosion in chloride environments necessitates efficient and eco-friendly inhibitors. This study first proposes nitrogen, phosphorus, and sulfur co-doped carbon dots (N,P,S-CDs) as a novel inhibitor for copper in 3.5 wt% NaCl solution, filling a gap in the application of ternary-doped nanomaterials in representative neutral chloride media. The structure and performance of N,P,S-CDs were systematically compared with those of single (N-CDs) and dual-doped (N,S-CDs, N,P-CDs) carbon dots. A multi-scale investigation combining electrochemical tests, surface morphology analysis, and theoretical simulations was conducted to elucidate the corrosion inhibition mechanism. Results demonstrated that N,P,S-CDs achieved an optimal inhibition efficiency of 96.15% at 200 mg/L. The ternary doping strategy enhanced the chemical adsorption capability of CDs onto the metal surface through a synergistic effect, resulting in the formation of a compact and stable protective film that effectively blocked the attack of corrosive species. This work provides novel insights into the design of high-performance green corrosion inhibitors via multi-element synergistic doping.

CAS / MDL: 71-00-1
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Inorganic Chemistry Frontiers · 2026 · IF 6.2

Asymmetric Fe−O(P)−Ni Coordination Coupled with Oxygen Vacancies Boosting Deep Reconstruction of Fe-NPO for Industrial AEM Water Electrolysis

Shi-Yu Lu,Chuan Li,Longyu Qiu,Yan Zhang,Jiaming He,Minqi Liang,Xin Peng,Jun Zhang,Yin Liu,Juan Liu,Chuan Tan,Menggang Li,Meng Jin

Targeted regulation of electrocatalyst reconstruction during the oxygen evolution reaction (OER) under alkaline conditions proves essential to achieving highly efficient hydrogen production via electrochemical water splitting. Yet this remains a considerable challenge. Herein, we prepare an iron nickel phosphate (Fe-NPO) catalyst, which possesses substantial oxygen vacancies and an asymmetric Fe-O(P)-Ni coordination structure. This structural merit facilitates the effective deep reconstruction of Fe-NPO, which then transforms into the highly active Fe-Vo-P-NiOOH active phase during OER. For the reconstructed Fe-Vo-P-NiOOH, it effectively tunes the d-band center, bringing it notably closer to the Fermi level. This type of electronic modulation not only strengthens the water adsorption capacity but also optimizes the rate-determining step (RDS) in the OER pathway. The anion-exchange membrane water electrolyzer (AEMWE) integrated with the Fe-NPO catalyst as an anode catalyst achieved high industrial current densities of 500, 1000, 1500 and 2000 mA cm-2 at low applied voltages of 1.68, 1.76, 1.84 and 1.92 V, respectively. This work presents a strategy to realize the deep and efficient conversion of OER catalysts into highly active components through defect engineering and asymmetric coordination regulation, while also confirming Fe-NPO’s considerable potential for practical hydrogen production scenarios.

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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2025 · IF 4.1

A straightforward polymerization-pyrolysis strategy to prepare N, P, S triply doped carbon nanosheets as efficient electrocatalyst for oxygen reduction reaction

Kuan Shen,Yuqi Chen,Ming Li,Xingmei Guo,Siying Fan,Yafei Zhao,Zhao Xu,Yuanyuan Wang,Qinghong Kong,Junhao Zhang

Non-metallic carbonaceous catalysts for oxygen reduction reaction (ORR) hold great promise for applications in zinc-air batteries (ZABs). Their performance is substantially dictated by the type and quantity of heteroatoms doped within the carbon lattice. Herein, a novel polymerization-pyrolysis strategy is proposed to prepare N, P, S triply doped carbon nanosheets (NPS-C) and regulate the amount of doped atoms. The optimized sample showcases excellent ORR catalytic performance, featuring a half-wave potential of 0.81 V vs. RHE and high long-term stability. When employed as the cathode catalyst in primary ZABs, the resulting battery delivers a high peak power density of 157.9 mW cm −2 , along with high specific capacity and good rate capability. This work provides a simple and effective strategy for developing non-precious carbon-based electrocatalysts, offering new possibilities for enhancing the performance of energy storage and conversion devices.

CAS / MDL: 7440-06-4
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CARBON · 2025 · IF 11.6

High-performance phosphorus/carbon anodes with P–O–C bonds enabled by oxygen-rich CO2-Derived carbon for sodium-ion batteries

Zhouyu Fang,Kaifa Du,Minghao Liu,Hao Shi,Lei Guo,Wenmiao Li,Wei Li,Huayi Yin,Bowen Deng,Di Chen,Dihua Wang

Red phosphorus (RP) is a promising anode material for sodium-ion batteries (SIBs) due to its high theoretical capacity and cost-effectiveness. However, its practical use is constrained by poor electronic conductivity and severe volume expansion during cycling. Herein, we introduce a new strategy to synthesize phosphorus/carbon (P/C) composites enriched with phosphorus-oxygen-carbon (P– O –C) bonds, achieved by high-energy ball milling of CO 2 -derived oxygen-rich electrolytic carbon (EC) with RP. This approach enhances the conductivity and structural stability of RP while effectively mitigating volume changes during charge-discharge cycles. Electrochemical evaluation reveals that the P/EC composite exhibits outstanding performance, maintaining a high capacity of 871.6 mAh g −1 after 200 cycles at 0.26 A g −1 with a retention rate of 88.6 %, and delivering 340.2 mAh g −1 after 2000 cycles at 2.6 A g −1 . This work demonstrates the potential of integrating CO 2 -derived EC with RP to create advanced anode materials with enhanced stability and high-rate capability, paving the way for next-generation SIBs.

CAS / MDL: 7723-14-0
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Nanomaterials · 2025 ·Vol. 15 ·期 12 ·904 · IF 4.3

Prussian Blue Analogue-Derived p-n Junction Heterostructure for Photothermal Reverse Water–Gas Shift: Enhanced Activity and Selectivity via Synergistic Effects

Shaorui Jia,Xinbo Zhang,Junhong Ma,Chaoyun Ma,Xue Yu,Yuanhao Wang

Photothermal catalytic CO2conversion into chemicals that provide added value represents a promising strategy for sustainable energy utilization, yet the development of highly efficient, stable, and selective catalysts remains a significant challenge. Herein, we report a rationally designed p-n junction heterostructure, T-CZ-PBA (SC), synthesized via controlled pyrolysis of high crystalline Prussian blue analogues (PBA) precursor, which integrates CuCo alloy, ZnO, N-doped carbon (NC), and ZnII-CoIIIPBA into a synergistic architecture. This unique configuration offers dual functional advantages: (1) the abundant heterointerfaces provide highly active sites for enhanced CO2and H2adsorption/activation, and (2) the engineered energy band structure optimizes charge separation and transport efficiency. The optimized T-C3Z1-PBA (SC) achieves exceptional photothermal catalytic performance, demonstrating a CO2conversion rate of 126.0 mmol gcat⁻1h⁻1with 98.8% CO selectivity under 350 °C light irradiation, while maintaining robust stability over 50 h of continuous operation. In situ diffuse reflectance infrared Fourier transform spectroscopy (in situ DRIFTS) investigations have identified COOH* as a critical reaction intermediate and elucidated that photoexcitation accelerates charge carrier dynamics, thereby substantially promoting the conversion of key intermediates (CO2* and CO*) and overall reaction kinetics. This research provides insights for engineering high-performance heterostructured catalysts by controlling interfacial and electronic structures.

✓ 已验证 DOI PubMed 高影响因子
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RSC Advances · 2025 ·Vol. 15 ·期 25 ·19826-19835 · IF 4.6

Upcycling distillery waste: N, P, Fe Co-doped porous biochar from excess sludge of sauce-flavor liquor for high-performance supercapacitors

Suxing Luo,Jiang Li,Meizhi Yang,Ping Zeng,Yuanhui Wu

Enhancing supercapacitor performance by incorporating heteroatoms into biochar represents a fascinating strategy. Our study presented an uncomplicated process for creating porous biochar simultaneously doped with nitrogen (N), phosphorus (P), and iron (Fe). The source material was excess sludge from sauce-flavor liquor production, which conveniently provided high initial N and Fe content for the resulting biochar. The phosphorus originated from phytic acid, while gentle activation was achieved using potassium carbonate (K2CO3). We found that adjusting the K2CO3 proportion and activation heating allowed precise control over the final material's characteristics, including its pore network, surface chemistry, plus the ultimate N, P, and Fe levels. Through electrochemical assessment, the N, P, Fe/BC-700-2 sample demonstrated superior performance, exhibiting a specific capacitance up to 141.7 F g−1 when tested at a 1 A g−1 current density in 6 M KOH electrolyte. This efficacy stemmed from several contributing elements: a large specific surface area (BET, 824.5 m2 g−1), abundant structural imperfections coupled with extensive mesoporosity, and advantageous synergistic effects arising from N, P, Fe co-incorporation. This investigation demonstrates that transforming sauce-flavor liquor excess sludge (SFLS) into heteroatom-enriched biochar not only offers significant promise for developing advanced supercapacitor electrode materials but also provides a sustainable pathway for valorizing problematic industrial waste.

CAS / MDL: 584-08-7 7647-01-0
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GREEN CHEMISTRY · 2026 · IF 9.2

Unlocking the activity of lattice oxygen in P-engineered MoO2 for efficient oxygen evolution reaction: a d-band center modulation perspective

Yi Xu,Fanshu Yuan,Xiaotian Xie,Jinhui Tong,Cheng Min,Qian Zhang,Jie Tang,Jie Liu,Tingting Lv,Qianli Zhang

Activating lattice oxygen in oxygen evolution reactions (OER) serves as an effective strategy to overcome the inherent limitations of the traditional adsorbate evolution mechanism (AEM). Molybdenum dioxide (MoO2), which has attracted attention due to its high electrical conductivity and other metallic properties, exhibits excessive adsorption of oxygen-containing intermediates at its elevated molybdenum d-band center. This leads to the formation of stable Mo–O bonds, thereby hindering the lattice oxygen mechanism (LOM). This study demonstrates that phosphorus doping serves as a more direct strategy for intrinsic electronic structure modulation. DFT calculations predict that phosphorus doping effectively lowers the d-band center of molybdenum and softens Mo–O bonds, thereby enabling lattice oxygen participation in the reaction mechanism. Consistent with the computational results, experimental kinetic studies (e.g., pH-dependent experiments) and chemical probe tests confirm that P-MoO2 follows the LOM pathway. The prepared P-MoO2 catalyst exhibits an overpotential of only 247 mV at 10 mA cm−2 current density while maintaining stability for up to 100 hours. Furthermore, through various characterization techniques (TEM, XPS, in situ Raman spectroscopy), it was observed that the catalyst underwent significant potential-induced surface reconstruction during the reaction process, forming an amorphous MoO(OH)x layer rich in Mo5+. This reconstructed layer is considered the true active phase, where Mo5+ has been confirmed as the dominant valence state in the OER process.

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RUBBER CHEMISTRY AND TECHNOLOGY · 2025 · IF 1.5

Synthesis of the New P-N Flame Retardant Based on Sepiolite and the Flame Retardant and Smoke Suppression Study on EPDM

Li Yutong,Xu Ruilong,Zheng Jiawang,Li Tiezhu,Pang Li,Zhao Shuai,Li Lin,Xin Zhenxiang

In order to further the design and use of flame retardants with a lower environmental impact, a large number of available, eco-friendly, bio-based and biocompatible flame retardants have begun to be used. This study explores the synthesis of a novel phosphorus-nitrogen synergistic flame retardant (PMO) using bio-sourced phytic acid (PA) and enteromorpha prolifera (EP), along with mineral-based modified sepiolite (OSEP) and melamine (MEL), to investigate its flame retardant and smoke suppression effects on ethylene-propylene-diene monomer rubber (EPDM). Experimental results demonstrate that compared to pure EPDM, EPDM with 50 phr PMO achieves a V-0 rating in UL-94 tests, with an increased Limiting Oxygen Index (LOI) to 31.1 %, Time to Ignition (TTI) extended from 6 s to 29 s, Peak Heat Release Rate (PHRR) reduced by 55.8 %, Total Heat Release (THR) decreased by 69.4 %, particularly Total Smoke Production (TSP) reduced by over 73 %, significantly enhancing the flame retardant performance of the rubber composite material. After loading with modified seafoam, the highly efficient PMO flame retardant was successfully prepared, which has a broad application prospect in general rubber materials.

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FUEL · 2018 · IF 4.908

The design of a CZ@H-β-P catalyst with core shell structure and its application in LPG synthesis from syngas

Peng Lu,Dongming Shen,Shilin Cheng,Emmerson Hondo,Linet Gapu Chizema,Chengwei Wang,Xikun Gai,Chengxue Lu,Ruiqin Yang

Liquefied petroleum gas (LPG, C3 and C4 paraffins) from syngas have attracted much attention recently due to the growing demand of non-oil resource as well as its environmentally friendly features, but the catalytic reaction process controlled by thermodynamics and CO conversion rate is low with many side reactions. Here we report a catalyst with core shell structure for LPG synthesis from syngas. Zeolite as shell was synthesized by hydrothermal method firstly and then coated on Cu/ZnO core with Ludox (CZ@Z), the Cu/ZnO core was prepared by co-precipitation method. The unique core shell structure had efficient synergistic effect. The reaction equilibrium favored forward reaction because methanol as an intermediate was directly transformed to dimethyl ether. The zeolite type in the core shell structure catalyst had great effects on the activity and selectivity. The catalysts have been characterized by XRD, NH 3 -TPD and SEM. The activities were determined after in situ H 2 reduction. CZ@H-β catalyst showed a more effective catalytic activity compared with the traditional hybrid catalyst. The excellent catalytic performance was attributed to the combined contribution of both unique core shell structure and proper zeolite type. At these reaction conditions, temperature of 350 °C, pressure of 3.0 MPa and flow rate of 40 ml min −1 , CO conversion and hydrocarbons selectivity achieved 61.8% and 64.2%, respectively. LPG selectivity in hydrocarbons was 70.2%.

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