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ENERGY · 2025 · IF 9.4

Experimental and Reactive Molecular Dynamic Study on the Oil-dispersible Pd Nanoparticles for Cracking Aviation Kerosene RP-3

Hao Sun,Hui Gao,Yanhua Li,Youchang Du,Jiao Wang,Huaizhi Han,Guice Yao,Dongsheng Wen

Fully utilizing the chemical heat sink generated by hydrocarbon fuel cracking is critical for enhancing the endothermic cooling capacity of the fuel. In this study, a catalytic strategy based on oil-dispersible palladium nanoparticles (Pd NPs) is proposed for the supercritical cracking of RP-3. Pd NPs with an average size of 2.85 nm are synthesized and uniformly dispersed in RP-3, exhibiting long-term stability with a sedimentation rate below 7% after 60 days. To evaluate the catalytic performance and reveal the complex catalytic cracking mechanism of hydrocarbon fuels under supercritical conditions, a combined approach of tubular reactor experiments and reactive force field molecular dynamics (ReaxFF MD) simulations is employed. Both experimental and simulation results demonstrate that, compared to thermal cracking, Pd/RP-3 catalytic cracking exhibits significant improvements in conversion, gas yield, olefin selectivity, and heat sink. At 700 °C, 200 ppm Pd NPs increase the heat sink of RP-3 from 2.52 MJ/kg to 2.77 MJ/kg. Kinetic analysis reveals that the enhancement is ascribed to the remarkable catalytic abilities of Pd NPs to reduce the activation energies for RP-3 cracking, C-C and C-H bond cleavage by approximately 66.7%, 80.7%, and 78.7%, respectively. Pd also enhances dehydrogenation reactions, leading to higher yields of hydrogen and olefins, while effectively facilitating benzene rings decomposition within the aromatic components of RP-3. The synthesized oil-dispersible Pd NPs present great potential for enhancing the cooling capacity and the catalytic cracking mechanism proposed here may provide a theoretical foundation for designing efficient future catalysts.

CAS / MDL: 16940-66-2
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THERMOCHIMICA ACTA · 2024 · IF 3.1

Ultrafine Fe(OH)3 nanoparticles formation via oxidation-mediated strategies towards remarkable flame-retardant and smoke-suppressant performances

Guangyan Chen,Zai-Yin Hu,Zhijun Guo,Yi Xie

Transition metal nanomaterials are widely applied as flame retardants in materials. Herein, an oxidation-mediated strategy was developed for temporally controlling the in situ growth of Fe(OH) 3 nanoparticles on wool/nylon (W/N) fabrics. The formed particles exhibit homogeneous dispersion on the surface of W/N fabrics, with an average particle diameter of about 60 nm. These Fe(OH) 3 nanoparticles can simultaneously enhance both the flame retardancy (the limiting oxygen index increased by 18.8 % and passed the UL-94 burning test of V-0 rating) and mechanical performance (the tensile strength increased by 9.13 %) of the W/N fabrics. Meanwhile, the obtained W/N fabrics exhibit remarkable smoke-suppressant properties, demonstrating a reduction of 76.4 % and 65.5 % in smoke production rate and total smoke production, respectively, compared to the pure W/N fabrics. Furthermore, the prepared W/N fabrics exhibit good durability. This innovative strategy may be also extended for synthesizing other nanomaterials and pave a new path to develop high-performance flame-retardant materials.

CAS / MDL: 64-17-5 7720-78-7
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2024 · IF 7.7

Preparation of iota-carrageenan@bentonite@4-phenyl-3-thiosemicarbazide ternary hydrogel for adsorption of Losartan potassium and sulfamethoxazole

Irfan Ijaz,Aysha Bukhari,Ezaz Gilani,Ammara Nazir,Hina Zain,Attia Shaheen,Mohammed Rafi Shaik,Mujeeb Khan,Mohamed E. Assal

A rising quantity of drugs has been discharged into the aquatic environment, posing a substantial hazard to public health. In the current work, a novel hydrogel (i.Carr@Bent@PTC), comprised of iota-carrageenan, bentonite, and 4-phenyl-3-thiosemicarbazide, was successfully prepared. The introduction of 4-phenyl-3-thiosemicarbazide and bentonite in iota-carrageenan significantly increased the mechanical strength of iota-carrageenan hydrogel and improved its degree of swelling, which can be attributed to the hydrophilic properties of PTC and Bent. The recorded contact angle was 70.8°, 59.1°, 53.9°, and 34.6° for pristine i.Carr, i.Carr@Bent, and i.Carr@Bent@PTC, respectively. The low contact angle measurement of the Bent and PTC loaded-i.Carr hydrogel was attributed to the hydrophilic Bent and PTC. The ternary i.Carr@Bent@PTC hydrogel demonstrated broad pH adaptability and excellent adsorption capacities for sulfamethoxazole (SMX) and losartan potassium (LP), i.e., 467.61 mg. g −1 and 274.43 mg. g −1 at 298.15 K, respectively. The pseudo-first-order (PSO) model provided a better fit for the adsorption kinetics . The adsorption of SMX and LP can be better explained by employing the Sips and Langmuir isotherm models. As revealed by XPS and FTIR investigations, π-π stacking, complexation, electrostatic interaction , and hydrogen bonding were primarily involved in the adsorption mechanisms.

CAS / MDL: 11114-20-8 5351-69-9
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Inorganics · 2025 ·Vol. 13 ·期 9 ·295 · IF 3

Reactive Anti-Solvent Engineering via Kornblum Reaction for Controlled Crystallization in (FA0.83MA0.17Cs0.05)Pb(I0.85Br0.15)3 Perovskite Solar Cells

Shengcong Wu,Qiu Xiong,Abd. Rashid bin Mohd Yusoff,Peng Gao

Regulating the crystallization dynamics of perovskite films is key to improving the efficiency and operational stability of (FA0.83MA0.17Cs0.05)Pb(I0.85Br0.15)3perovskite solar cells (PSCs). However, precise regulation of the crystallization process remains challenging. Here, we introduce a reactive anti-solvent strategy based on the Kornblum reaction to modulate crystallization via in-situ chemical transformation. Specifically, trans-cinnamoyl chloride (TCC) is employed as a single-component anti-solvent additive that reacts with dimethyl sulfoxide (DMSO) in the perovskite precursor solution. The resulting acylation reaction generates carbonyl-containing products and sulfur ions. The carbonyl oxygen coordinates with Pb2+ions to form Pb–O bonds, which retard rapid crystallization, suppress heterogeneous nucleation, and facilitate the growth of larger perovskite grains with improved film uniformity. Additionally, the exothermic nature of the reaction accelerates local supersaturation and nucleation. This synergistic crystallization control significantly enhances the film morphology and device performance, yielding a champion power conversion efficiency (PCE) of 23.02% and a markedly improved fill factor (FF). This work provides a new pathway for anti-solvent engineering through in-situ chemical regulation, enabling efficient and scalable fabrication of high-performance PSCs.

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ADVANCED FUNCTIONAL MATERIALS · 2025 · IF 19

Interfacial Bridge Bonding Enables High-Efficiency Sb2(S,Se)3 Solar Cells with Record Fill Factor Exceeding 73%

Xiaoqi Peng,Zhentao Ma,Zixu He,Rongfeng Tang,Jianyu Li,Shuwei Sheng,Ting Wu,Yue Hu,Zhiyuan Cai,Zequan Jiang,Yuchen Li,Changfei Zhu,Ruiguo Cao,Xusheng Zheng,Tao Chen

For solar cells, interfacial chemical coordination, carrier transport, and energy alignment play critical roles in carrier transport and determine the final energy conversion efficiency. As an emerging solar technology, high-efficiency Sb 2 (S,Se) 3 solar cells typically utilize cadmium sulfide (CdS) as the interfacial electron transport layer. However, the poor chemical and electrical contact between F-doped SnO 2 (FTO) substrate and CdS presents a significant challenge to improving device performance. Here, an ultrathin SnO 2 layer is introduced, fabricated via chemical bath deposition, between FTO and CdS to address the interfacial coordination and transport problem. The non-invasive depth analysis based on synchrotron radiation X-ray photoelectron spectroscopy shows that this interfacial engineering approach facilitates the formation of S-Sn bonding at the FTO/CdS interface, which cannot be achieved on the conventional inert FTO surface. Additionally, the existence of an interfacial SnO 2 layer reduces the sulfur vacancy defect (V S ) in the CdS films, enhancing both electrical conductivity and crystallinity. Therefore, the solar cell demonstrates significantly enhanced carrier separation and transport performance. Ultimately, the Sb 2 (S,Se) 3 solar cells achieve a record fill factor exceeding 73%, with a championefficiency of 10.58%. This study presents an effective interfacial engineering strategy to enhance charge transport properties for high-performance Sb 2 (S,Se) 3 solar cells.

CAS / MDL: 57-13-6 7488-55-3
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Food Bioscience · 2025 · IF 5.9

Nanozyme-amplified lateral flow nanobody-immunoassay via PEI-mediated coupling strategy for sensitive detection of 3-phenoxybenzoic acid

Li Ming,Yongfei Zhou,Ning Li,Xinhua Zhou,Hongyan Zhang,Xiaobo Zou,Can Zhang

The integration of nanobody and nanozyme has emerged as a transformative strategy in immunoassays, offering enhanced sensitivity, stability, and versatility compared to conventional antibody-enzyme conjugates. Herein, we successfully developed a ternary nanostructure by integrating silica nanoparticles (SNPs), polydopamine (PDA), and platinum nanoparticles (Pt NPs), yielding SNPs@PDA@Pt (SPP) with robust nanozyme catalytic activity. Notably, the SPP was surface-modified with polyethyleneimine (PEI) to generate positively charged PEI-modified SNPs@PDA@Pt (PSPP). This modification substantially improved the coupling efficiency with anti-3-phenoxybenzoic acid nanobodies (3-PBA Nbs) via electrostatic interactions. The PSPP-based coupling achieved a remarkable efficiency of 92.28 %, representing about a 4.5-fold increase over the SPP method (20.55 %). The PSPP@3-PBA Nbs nanocomposite was successfully integrated into both ELISA and LFIA platforms, achieving remarkable detection limits (0.001 ng/mL for ELISA and 0.003 ng/mL for LFIA). The nanocomposite also showed excellent stability, with no significant loss of immunobinding capacity or catalytic activity over 30 days. This work presents a novel design strategy for constructing high-performance nanozyme-nanobody nanocomposites, which shows great promise for ultra-sensitive 3-PBA detection in resource-limited settings.

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Nano-Micro Letters · 2013 ·Vol. 5 ·期 3 ·182-190 · IF 2.057

Fabrication of Large-area 3-D Ordered Silver-coated Colloidal Crystals and Macroporous Silver Films Using Polystyrene Templates

Zhu Wen,Wu Yuanyuan,Wang Chengyin,Zhang Ming,Dong Guanxiu

The highly ordered silver-coated colloidal crystals arrays and macroporous silver films were derived through an electrostatics-induced adsorption effect using polystyrene (PS) as templates. Carboxyl-modified PS microspheres were prepared by emulsifier-free emulsion polymerization using methacrylic acid (MAA) as the functional monomer. PS microspheres were self-assembled into close packing colloidal crystals of facecentered cubic arrays to the substrate with vertical deposition method. These colloidal crystals were modified using dopamine (DA) to form poly-dopamine (PDA) during its oxidative polymerization. Through electrostatic interaction, the silver nanoparticles were deposited and adsorbed onto the surfaces of colloidal crystals templates by exposing [Ag(NH 3 ) 2 ] + solution to infrared irradiation. Removal of the polymeric template by etching with methylbenzene solvent resulted in 3D ordered macroporous silver films. The structural and properties of the ordered silver-coated arrays and macroporous silver films were characterized by field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), UV-vis spectroscopy and surface-enhanced Raman spectroscopy (SERS). The results indicate that the prepared silver-coated arrays and macroporous silver films possess the features of ordered multilayer arrangement, uniformity and repeatability as well as an ideal SERS effect.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2021 · IF 5.316

Building a highly functional Li1.3Al0.3Ti1.7(PO4)3/poly (vinylidene fluoride) composite electrolyte for all-solid-state lithium batteries

Yingmin Jin,Chaojun Liu,Zhenggang Jia,Xin Zong,Dong Li,Mengyu Fu,Junhua Wei,Yueping Xiong

Solid-state electrolytes have become a promising approach for rechargeable lithium batteries with enhanced safety and high energy density . However, the rigid nature of ceramic electrolytes would result in the poor interfacial contact, and polymer electrolytes suffer from inferior electrochemical performance and unsatisfied mechanical strength to suppress Li dendrites. In this work, we report a flexible Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 (LATP)-reinforced polyvinylidene fluoride (PVDF)-based solid composite electrolyte with superior performances in terms of high ionic conductivity (1.64 × 10 −3 S cm −1 at room temperature), high lithium transference number (0.45), wide electrochemical window (0–4.76 V) and enhanced tensile strength (14.2 MPa). The existence of LATP permits the utilization of high Li-salt content which increases the charge carrier concentration. Meanwhile, LATP facilitates the Li + conduction process and enhances the mechanical strength, leading to a long-term electrochemical stability of symmetric Li cell for 600 h at 0.2 mA cm −2 . Assembled with LiFePO 4 cathode, the all-solid-state Li battery delivers a high capacity of 153.7 mA h g −1 at 0.3 C with remarkable cycle stability. This work provides a bright future for composite polymer electrolytes in the application of all-solid-state lithium batteries .

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JOURNAL OF ALLOYS AND COMPOUNDS · 2020 · IF 4.65

Passion fruit-like structure endows Li3V2(PO4)3@C/CNT composite with superior cyclic stability and rate performance

Yang Xia,Liyue Yu,Chengwei Lu,Jing Zhu,Zhen Xiao,Jun Zhang,Chu Liang,Hui Huang,Yongping Gan,Wenkui Zhang

Monoclinic Li 3 V 2 (PO 4 ) 3 (LVP) fulfills safety requirements including superior chemical and thermal stabilities since the oxygen atoms are firmly anchored in PO 4 3− units, however the low intrinsic electronic conductivity strictly limits its electrochemical performance . Herein, to overcome this problem, a rationally designed passion fruit-like LVP@C/CNT composite constructed with LVP grains as seeds, carbon matrix as pulp, and carbon nanotubes (CNTs) as filaments, has been prepared via a facile spray pyrolysis method. In such unique biomimetic structure, carbon matrix encases LVP to reduce its particle size, which is beneficial to shorten ion pathways; Porous structure scattered around carbon matrix facilitates the rapid penetration of electrolyte; 3D CNT networks afford high-speed electron conduction and remarkable structural stability by forming the bridges between LVP grains. Owing to the multiple merits of this biomimetic structure, the rationally designed LVP@C/CNT composite with 3 wt% CNT exhibits high reversible capacity, superior cyclic stability and remarkable rate capability.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2016 ·Vol. 41 ·期 39 ·17462-17470 · IF 3.205

Enhanced hydrogen desorption properties of LiBH4–Ca(BH4)2 by a synergetic effect of nanoconfinement and catalysis

Bing Zhai,Xuezhang Xiao,Wenping Lin,Xu Huang,Xiulin Fan,Shouquan Li,Hongwei Ge,Qidong Wang,Lixin Chen

NbF 5 and eutectic 0.68LiBH 4 –0.32Ca(BH 4 ) 2 were successively infiltrated into highly ordered mesoporous carbon (CMK-3) to obtain a LiBH 4 –Ca(BH 4 ) 2 –NbF 5 @CMK-3 composite. A synergetic effect of nanoconfinement and catalysis on hydrogen desorption properties of the composite was achieved. The onset desorption temperature of LiBH 4 –Ca(BH 4 ) 2 –NbF 5 @CMK-3 is dramatically lower than 120 °C compared with that of as-milled LiBH 4 –Ca(BH 4 ) 2 or LiBH 4 –Ca(BH 4 ) 2 @CMK-3. A hydrogen amount as high as 13.3 wt% can be released within 250 min for LiBH 4 –Ca(BH 4 ) 2 –NbF 5 @CMK-3, compared with only 10.4 wt% for pure LiBH 4 –Ca(BH 4 ) 2 , in which nanoconfinement and catalysis both make some contribution. The cycling hydrogen desorption performance of the composite becomes better likewise due to the addition of NbF 5 . Further microstructure analysis reveals that F − tended to bind with Ca 2+ to form CaF 2 , whereas Nb compound is believed to catalyze the whole system in the form of Nb-based boride (NbB 2 ).

研究领域: 材料科学 · 能源化学 · 纳米科技 · 储氢材料 · 物理化学
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MICROCHEMICAL JOURNAL · 2026 · IF 5.2

Ligand recognition mechanism and structure-activity relationship of TAS2R1 revealed by a CMK-3/AuNPs sensor and computational modeling

Zihan Shi,Dingqiang Lu,Wei Xu,Lihua Geng,Chang-jiang-sheng Lai

Developed an electrochemical biosensor for the bitter taste receptor TAS2R1, utilizing a nanocomposite of CMK-3 and AuNPs. • Proposed system-dependent C₁/₂,sys to quantify ligand-triggered electrochemical signals of the TAS2R1 biosensor. • H-bond & hydrophobic forces govern TAS2R1-ligand binding; Phe75, Ile254, Leu250, Phe252/259, Arg256 are key binding residues. The bitter taste receptor TAS2R1 mediates significant physiological functions not only in the gustatory system but also in extra-oral tissues, including the respiratory tract, immune system, and metabolic pathways. To elucidate its ligand recognition mechanism, we developed an electrochemical biosensor for TAS2R1 based on a composite of ordered mesoporous carbon and gold nanoparticles. The biosensor was used to quantitatively analyze the interaction kinetics with ten bitter ligands. Combined with molecular docking and molecular dynamics simulations, this study identified key residues in TAS2R1 that may be involved in ligand recognition; among these, the nitrogen-containing groups and hydroxyl groups of the ligand molecules appear to be important structural features influencing ligand recognition by TAS2R1. This work provides a molecular foundation for elucidating the structure-activity relationship of TAS2R1 and facilitates its applications in bitter taste masking and drug development. Download: Download high-res image (174KB) Download: Download full-size image

CAS / MDL: 118-71-8 57-50-1 66-81-9
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CERAMICS INTERNATIONAL · 2026 · IF 6

Synergistic relaxor regulation and 0-3 perovskite-pyrochlore composite design for high-performance energy storage in BiFeO3-BaTiO3 ceramics

Huiting Zhang,Anze Shui,Chaoyu Peng,Hulei Yu,Xinrong Zhong

Lead-free dielectric ceramic capacitors are promising for pulsed-power applications owing to their high power density and rapid charge-discharge capability. However, simultaneously achieving high recoverable energy density ( W rec ) and efficiency ( η ) under moderate electric fields remains challenging. Here, we develop (Na 0.7 La 0.1 )TaO 3 (NLT)-doped 0.67BiFeO 3 -0.33BaTiO 3 (BFBT) ceramics with exceptional energy storage properties through the synergy between relaxor regulation and 0-3 perovskite–pyrochlore composite design. The introduction of NLT is demonstrated to effectively disrupt the long-range ferroelectric order of BFBT and promote the formation of highly dynamic polar nanoregions, significantly minimizing their remanent polarization. When the NLT content exceeds the solid-solution limit, the Bi 2 Ti 2 O 7 pyrochlore secondary phase forms and establishes insulating interfaces that suppress long-range carrier migration and enhance the breakdown strength. Owing to these synergistic effects, the optimized ceramics with the addition of 15% NLT exhibit a large W rec of 3.81 J/cm 3 and a high η of 91% at 330 kV/cm, as well as excellent frequency, thermal, and cycling stability. The synergistic relaxor-regulation and grain-boundary-insulation strategy provides a feasible route for high-performance lead-free ceramic capacitors.

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