Catalysts
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2026
·Vol. 16
·期 8
·707
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IF 4.5
Zibin Hai,Jingwei Han,Mengyao Xue,Yunhua Zhang
In semiconductor photocatalysis, the strong redox ability of a wide band gap and the broad light absorption range of a narrow band gap are a pair of irreconcilable trade-offs. By combining semiconductors with different band gap widths and band edge positions, both of these advantages can be achieved simultaneously. A ternary Cu2O-SnO2/g-C3N4(CuSnCN) composite photocatalyst was prepared through the hydrothermal and calcination method. Structural analyses confirm the successful integration of truncated octahedral Cu2O, spherical SnO2, and layered g-C3N4, which extends the visible-light response to 650 nm. The optimized system achieves a remarkable 96.58% degradation of methyl orange (80 min, 0.2 g/L catalyst, pH = 3) through dual heterojunction synergies: p–n junctions (Cu2O/g-C3N4and SnO2/g-C3N4) and Z-scheme charge transfer (SnO2/Cu2O), with •O2−/h+identified as the dominant reactive species. This work establishes a tunable heterojunction platform for the elimination of multiple pollutants through engineered radical-generation pathways.
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Surfaces and Interfaces
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2026
·
IF 6
Shiyang Fu,Yuqing Shi,Guowei Yu,Xiao Liang,Nan Gao,Jing Zhang
Co 3 O 4 /Fe 2 O 3 p–n heterojunctions were prepared hydrothermally. • CF-5 shows a 5.6-fold response at a lower optimal temperature. • DFT reveals charge redistribution enhancing n-butanol adsorption. To selectively detect volatile organic compounds at low operating temperatures are highly desirable for industrial safety and environmental monitoring. Herein, we report the high-performance n-butanol gas sensors via interfacial engineering of Co 3 O 4 /Fe 2 O 3 p–n heterojunction composites. Hierarchical architectures composed of Fe 2 O 3 nanoparticles uniformly anchored on Co 3 O 4 nanorods were synthesized through a facile hydrothermal calcination strategy. Among the prepared samples, the optimized composite delivers a markedly enhanced sensing response of 23.08 toward 100 ppm n-butanol, representing a 5.6-fold improvement compared with pristine Co 3 O 4 , and simultaneously reducing the optimal operating temperature to 110°C. The mechanism analyses reveal pronounced interfacial charge transfer from Fe 2 O 3 to Co 3 O 4 , which induces band bending and built-in potential barriers that sensitively regulate carrier transport. The formation of heterointerfaces also significantly enriches chemisorbed oxygen species, thereby accelerating surface oxidation reactions with n-butanol molecules. As a result, the sensor exhibits outstanding selectivity against common interfering gases, fast response/recovery dynamics (42/36 s). Density functional theory calculations further elucidate that the heterojunction facilitates stronger adsorption of n-butanol and its oxidation intermediates, enhanced charge transfer, and favorable electronic-state redistribution near the Fermi level. This work highlights interfacial electronic engineering as an effective strategy for developing energy-efficient and highly reliable metal-oxide gas sensors. Download: Download high-res image (237KB) Download: Download full-size image
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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
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2026
·Vol. 126
·期 13
·e70254
·
IF 2.7
Jiyang Zhang,Xu Zhang,Jiapeng Zhu,Chaoyang Huang,Bingchen Zhang,Wenxue Song,Jihong Liu,Guixiao Jia,Dawei Lan
Heteroatom doping is an effective approach to enhance sodium storage capacities of carbon materials. In this study, we synthesized P-doped porous carbon (C–P) materials with defects derived from lignite humic residues. The effects of introduced P, O, vacancy defects and combinations of these defects on Na storage capacities have been investigated using a combination method of density functional theory (DFT) calculations and experiments. Binding energies, geometrical and electronic structures of Na on graphene surfaces with various defects are calculated. The results indicate that the introduction of defects, particularly P-dopings, enhances the interaction between graphene and Na, improving the sodium storage capacity of the graphene. This is attributed to increased density of states of the modified graphenes at the Fermi level and strong covalent interaction between Na and P. These results are supported by experimental data, highlighting the role of the P-doping in improving sodium storage. Experimental studies demonstrate that P-doped porous carbon (C–P) with possible common defects such as O-adsorbed, P-doped, vacancy defects and combinations of these defects exhibits a reversible specific capacity of 179.5 mAh g −1 with over 90% capacity retention after 150 cycles at a current density of 0.1 A g −1 , and maintain a reversible specific capacity of 147.4 mAh g −1 after 1500 cycles at 1.0 A g −1 , superior to other analogous materials.
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CERAMICS INTERNATIONAL
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2026
·
IF 6
Zhenjun Qing,Wanting Yang,Haiyan Li
Phase-pure MgP 2 O 6 and NiP 2 O 6 metaphosphate ceramics were synthesized via solid-state reaction. Both crystallize in a monoclinic C2/c structure, with NiP 2 O 6 exhibiting a contracted unit cell due to the smaller ionic radius of Ni 2+ compared to Mg 2+ . The optimum sintering temperature for MgP 2 O 6 was 975 °C, yielding ε r = 5.1, Q × f = 45,300 GHz, τ f = −14.7 ppm/°C, while for NiP 2 O 6 it was 925 °C, yielding ε r = 5.4, Q × f = 66,100 GHz, τ f = −8.7 ppm/°C. The slightly higher ε r of NiP 2 O 6 stems from higher bond ionicity and polarizability density. The superior Q × f is attributed to a higher packing fraction, larger lattice energies, and weaker phonon damping, as evidenced by a narrower Raman FWHM. The improved τ f arises from stronger A–O and P–O bond energies, resisting thermal vibrations. These results indicate MgP 2 O 6 and NiP 2 O 6 as promising low-permittivity microwave ceramics and suggest that A-site cation engineering provides a promising proof-of-concept for tailoring dielectric properties in metaphosphates.
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Jun Qiao,Yinuo Ma,Jun Luo,Guohao Shi,Feng Wei
The P/S doped carbon nanosheets (PSCN) were prepared by one-step method. • PSCN exhibits uniform N, S doped, porous structures and abundant defect sites. • The PSCN presents large Zn 2+ ion diffusion coefficient of 1.07 × 10 −6 cm 2 s −1 . • PSCN cathode displays long cycle life with capacity increase of 0.29% after 50,000 cycles. Aqueous zinc-ion hybrid capacitors have become an attractive option in the fields of energy storage on account of their inherent affordability and enhanced safety features. However, there is room for significant improvement in terms of energy density and specific capacity in current state. To solve this problem, we propose a strategy to improve the surface characteristics of carbon nanosheets (CNs) by synergistically incorporating P/S heteroatoms and pore engineering. The doping of P/S heteroatoms not only furnish defect sites, but also facilitates the redox reaction between Zn 2+ and oxygen functionalities. Additionally, the pore engineering enables the formation of multiple ion adsorption sites and transport channels in the CNs. Meanwhile, the KI additive introduces reversible I − /I 3 − redox reactions on the cathode, contributing extra faradaic capacity, and stabilizes the Zn anode by regulating Zn 2+ deposition and suppressing side reactions. Therefore, the PSCN cathode displays interesting zinc ion storage merits, e.g. large discharge capacity of 284.29 mAh g −1 at 0.1 A g −1 , excellent energy density of 240.72 Wh kg −1 and long cycle life with capacity increase of 0.29% after 50,000 cycles. This study affords a route to boost Zn 2+ storage performance by the synergetic effect of heteroatoms, pore engineering and ion additives. Download: Download high-res image (79KB) Download: Download full-size image
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ACS Applied Electronic Materials
·
2026
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IF 4.7
Quanbin Ma,Zhihua Zheng,Rui Li,Shi Feng,Juqi Wang,Haoyang Chen,Hongjun Qian,Fangping Ouyang,Xiaolong Yao,Shishang Guo
Flexible piezoelectric sensors with high output and long-term stability are critically limited by low polar phase content and inefficient interfacial electromechanical coupling in polymer-based systems. Here, we report a high-performance flexible piezoelectric sensor based on a PDA-engineered PDA@KNN/P(VDF-TrFE) electrospun composite, achieving simultaneous enhancement of β-phase crystallinity, interfacial stress transfer, and piezoelectric output. Owing to the bioinspired PDA interfacial layer and electrospinning-induced chain alignment, the optimized composite exhibits an ultrahigh β-phase fraction of 85.5%, significantly higher than pristine P(VDF-TrFE) (∼51%). The piezoelectric sensor delivers a high output voltage of 30 V, an ultrasensitive pressure response of 0.48 V·kPa–1, and excellent durability with <3% signal degradation over 3000 loading cycles, outperforming most reported PVDF-based piezoelectric sensors. First-principles density functional theory (DFT) calculations reveal that PDA-mediated interfacial coupling significantly lowers the interfacial formation energy (−3.27 eV), induces directional charge transfer, and reduces the work function, thereby enhancing interfacial polarization and electromechanical response. Furthermore, the sensor is successfully integrated into a self-powered smart wrist pressure monitoring system, enabling real-time detection of mechanical stimuli during fitness training. This work demonstrates a performance-driven interfacial engineering strategy for high-output, durable, and lead-free flexible piezoelectric sensors, with strong potential for wearable electronics and self-powered sensing applications.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2026
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IF 6.7
Zhuoran Song,Daohu Sheng,Siyao Cheng,Mengmeng Zhang,Aming Xie
The development of two-dimensional (2D) metal composite materials for electromagnetic wave (EMW) absorption is hindered by complex fabrication processes, high raw material costs, and insufficient absorption performance. We ingeniously integrate a multi-metal doping strategy with the oxygen-rich two-dimensional structure of p(C₃O₂)ₓ to successfully construct a defect-rich two-dimensional metal composite microwave absorber. Spectroscopic analysis reveals that multi-metal doping and oxygen release during pyrolysis generate abundant heterogeneous interfaces (oxides/alloys) and induce pronounced electron delocalization, promoting lattice distortions and defect formation. This synergistic effect significantly enhances both local dipole and interfacial polarization, boosting dielectric response. Consequently, the optimized OC-FeMnCuCo sample achieves exceptional EMW absorption with a minimum reflection loss (RL min ) of –55.0 dB and a broad effective absorbing bandwidth (EAB) of 6.8 GHz at an ultra-thin thickness of 1.9 mm. CST simulations further confirm its practical applicability. This work provides a simple, cost-effective strategy for designing advanced 2D absorbers.
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MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
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2026
·
IF 2.1
Zhixin Chen,Jinrong Duan,Jiafen Wang,Fang Si,Yunlong Wu,Yanyan Song
In this paper, the effects of surfactants such as PEG, CTAB and their combination (PEG: CTAB) on the microstructure and corrosion resistance of Ni-P-Si 3 N 4 composite coating were systematically studied. The electrochemical test shows that adding PEG or CTAB can reduce the coating defects and improve the corrosion resistance. When PEG and CTAB are used in combination, they show synergistic effect, which further enhances the compactness and corrosion protection of the coating. Among them, when the composite ratio is 3:1 (CTAB: PEG), the corrosion current density is significantly reduced, and the stability of the coating in corrosive medium is improved.
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Materials Science and Engineering B-Advanced Functional Solid-State Materials
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2026
·
IF 5.7
Zhen-Li Zhao,Lin-Dong Wang,Jun Chen,Han Li,Yao Rong,Li-Jia Niu,Jia-Xin Li,Jing Liu,Shokir Khojiev,Zhi-Yi Hu,Yu Li,Bao-Lian Su
3DOM NT-AH was obtained via synergistic reduction integrates Ni0/Ni2+ dual active centers and a NiO/TiO2 p-n heterojunction, enhancing electron transfer and charge separation to achieve a 16-fold increase in H2 evolution over unreduced 3DOM NT. Nickel oxide (NiO), owing to its tunable valence states and non-noble-metal cocatalytic properties, has shown great potential in photocatalytic hydrogen evolution. However, challenges remain in achieving highly dispersed loading, precise valence regulation, and optimized interfacial structures. Herein, we establish the Ni 0 /Ni 2+ dual active centers and NiO/TiO 2 p-n heterojunction in three-dimensionally ordered macroporous NiO x -TiO 2 -AH (3DOM NT-AH) composite photocatalyst for photocatalytic hydrogen production. In this unique structure, Ni 2+ species are favorable for forming a tightly coupled interfacial p-n heterojunction with TiO 2 , thereby promoting interfacial charge separation and directional carrier migration, while metallic Ni 0 acts as an efficient electron sink and electron-transfer mediator, facilitating rapid electron extraction and transport. Meanwhile, the highly dispersed NiO x nanoparticles are intimately anchored on the 3DOM TiO 2 (3DOM T) framework forming p-n heterojunction, further enhancing interfacial electron transfer and suppressing the recombination of photogenerated electron-hole pairs. The synergistic effect of the Ni 0 /Ni 2+ dual active centers and the p-n heterojunction makes that the optimized 3DOM NT-AH sample exhibits excellent photocatalytic hydrogen evolution performance, achieving a hydrogen evolution rate of 3.60 mmol·g −1 ·h −1 , which is about 16 times that of the unreduced 3DOM NiO-TiO 2 (3DOM NT) sample. This work provides a promising strategy for the design of efficient non-noble-metal Ni-based photocatalysts. Download: Download high-res image (201KB) Download: Download full-size image
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Nature Communications
·
2026
·
IF 18.1
Luo Jiawei,Liu Yuhang,Zhang Jingchao,Liu Zhedong,Guo Zhaoxin,Qian Kunyan,Li Zekun,Huang Pengfei,Wang Chunying,Zeng Jianrong,Liu Rui,Chen Yanan,Ding Jia,Hu Wenbin
Polyanionic positive electrodes with XO 4 (X = P, S, Si etc.) tetrahedra exhibit beneficial properties, making them crucial for energy storage systems. However, strong covalent X-O bonds cause electron localization, reducing intrinsic electronic conductivity and limiting rate performance. Here we show a strategy to directional design the covalency of X-O bonds for enhanced intrinsic electronic conductivity of polyanionic positive electrodes. We developed a non-equilibrium fast calcination technique to synthesize polyanionic positive electrodes inheriting weak covalent (WC) X-O bond characteristics from screened precursor. In as-synthesized NASICON-Na 3 V 2 O 1.6 (PO 4 ) 2 F 1.4 as proof-of-concept positive electrode, the WC P-O bonds effectively activate electron delocalization, thereby increasing electrons transport capability along V-O-P-O-V pathway. The intrinsic electronic conductivity of optimised material achieves 3.57 times enhancement, leading to 3.70 times and 3.86 times improvement in specific capacity and specific energy at 50 C. Meanwhile, the optimised material exhibits capacity retention of 85.9% after 3000 cycles at 1 C. This study potentially opens up a broad space for improving the intrinsic conductivity of polyanionic materials (such as phosphates, sulfates, silicates, etc.), with the potential to promote the development of next-generation high-power positive electrode.
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PubMed
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MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
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2026
·
IF 5.2
Xizhen Huang,Yongzheng Duan,Xili Shang,Yuejin Li,Dongmei Jia,Changhai Li
Fenton-like oxidation is a widely used advanced oxidation processes (AOPs) for the removal of persistent organic compounds. However, its development is significantly constrained by low H 2 O 2 utilization, the loss of transition metal ions, and the presence of harsh acidic conditions. Herein, a catalyst composed of MgO supported on porous P-doped graphitic C 3 N 4 (P-CN) was fabricated using a straightforward stepwise calcination process. The catalyst exhibited excellent performance in catalyzing the degradation of tetracycline (TC) through activated H 2 O 2 in the dark. The maximum reaction rate constant of the synthesized catalyst for TC degradation was 0.034 min −1 , which was nearly 62 times that of MgO and 18 times that of CN. The enhancement of catalytic properties was attributed to the doping of g-C 3 N 4 by P and the N-Mg bonds formed between g-C 3 N 4 and MgO, which not only enhanced charge transfer capabilities but also promoted the conversion of H 2 O 2 into 1 O 2 , •OH, and •O 2 − , thereby benefiting the degradation of pollutants. The effects of various parameters, including catalyst dosage, pH level, common interfering substances, and H 2 O 2 and TC concentrations, on degradation efficiency were examined in detail, and the ecological risk associated with the catalytic degradation of TC was predicted. In addition, the MgO/P-CN catalyst exhibited high stability, low H 2 O 2 consumption, and a broad pH range, had no transition metal components, and did not require an external energy input, demonstrating potential for the removal of organic pollutants and toxic waste.
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ANALYTICA CHIMICA ACTA
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2026
·
IF 6.1
Linzi Huang,Ling Bai,Xiaoqian Sun,Le Zhou,Xinyi Li,Yixi Xie,Chenxi Wang,Pengcheng Zhao,Junjie Fei
The development of efficient photoelectrochemical (PEC) sensing materials for the food additive carmine (CRM) remains a significant challenge, with no PEC sensor reported for CRM to date. Herein, we reported the first PEC sensor based on an Sb 2 WO 6 /CuO p-n heterojunction for CRM detection. The heterojunction interface facilitated efficient charge separation through an internal electric field, as elucidated by density functional theory calculations. The detection mechanism relied on the specific binding between the carboxyl and hydroxyl groups in CRM molecules and the metal sites on the CuO surface. This interaction blocked the active sites, inhibited hole transfer, and led to a significant decrease in photocurrent. The sensor exhibited a wide linear range (0.4 - 500 μM), a low limit of detection (0.19 μM), and excellent stability (>96.74%). Furthermore, its successful application in beverage samples yielded recovery rates of 97.30 - 101.50%. This work provides a novel PEC platform for sensitive food additive monitoring.
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