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MATERIALS RESEARCH BULLETIN · 2024 · IF 5.3

A room-temperature ammonia gas sensor based on the h-MoO3@Graphene composite film with fast response time

Yu Chang,Jianan Zhang,Ivan S. Babichuk,Hailong Liu,Yijie Liu,Jian Yang

The release of ammonia (NH 3 ) in industry or daily life is harmful to human health. A gas sensor was developed using h -MoO 3 nanorods and graphene film to detect and eliminate this. The h -MoO 3 nanorods were first synthesized by chemical bath deposition using ammonium molybdate tetrahydrate (NH 4 ) 6 Mo 7 O 24 •4H 2 O and HNO 3 and then deposited on the graphene film transferred to SiO 2 /Si substrate by electrochemical bubbling method. Subsequently, gas-sensitive h -MoO 3 @Graphene composite films were prepared and analyzed using Raman, XRD, SEM, and UV–vis. The gas sensor's performance was evaluated to detect NH 3 at a room temperature concentration range of 1–60 ppm. Compared with graphene, the conductivity of the composite film with 10 mg/ml h -MoO 3 nanorods was increased by 40 % and the sensitivity increased by 10 times. The sensor h -MoO 3 @G-10 showed the best sensing performance to 1 ppm NH 3 . Sensor sensitivity, response and recovery time are 1.1 %, 46.8 s and 17.8 s.

CAS / MDL: 12054-85-2 7697-37-2
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Z-scheme H-PDI supermolecule/NH2-MIL-101(Fe) for enhanced malathion degradation: Mechanism, pathway, and toxicity assessment

Yuhang Ren,Yu Tian,Yating Lu,Dongyu Nie,Huayi Zhu,Xia Yang

Malathion (MA) is a widely used organophosphorus pesticide globally. Developing efficient photocatalysts is crucial for eliminating MA pollution in water by photocatalytic technology. This study focuses on preparing a series of H-PDI supermolecule/NH 2 -MIL-101(Fe) (PM) materials by amidating NH 2 -MIL-101(Fe) with the more stable H-PDI supermolecule, forming a covalent O C–NH bond. Among these materials, 40 %PM (indicating a mass percentage content of 40 % H-PDI supermolecule in PM) exhibited the best performance for degradation of MA. Under simulated sunlight irradiation of a 10 mg·L 1 MA solution for 180 min, the reaction rate constants of 40 %PM were 5.95 times and 3.13 times higher than those of NH 2 -MIL-101(Fe) and H-PDI supermolecule, respectively. The enhanced performance is attributed to the formation of Z-scheme heterojunctions in the 40 %PM composite lead to fast separation of photogenerated e − and h + . Combining the results of HPLC-MS with Fukui Function, the HOMO, LUMO, and pathway of degradation of MA attracted by 1 O 2 , •OH, and h + were speculated. The pathway involves oxidation, demethylation, P-S bond breakage, decarboxylation, and final conversion to some inorganic molecules. The toxicity of the degradation byproducts were lower than that of MA estimated by Toxicity Estimation Software Tool.

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ELECTROCHIMICA ACTA · 2025 · IF 5.6

Tuning Pt–N₂H₄ adsorption on NiFe-LDH-Supported Pt for enhanced cycling stability in ammonia electro-oxidation

Yan Zhou,Desheng Sui,Qi Yin,Hui Zhang,Jiabing Luo,Guizheng Qi,Wenhui Zhang,Hailin Ma,Jun Zhang

Ammonia has recently been recognized as a promising energy carrier for long-term and large-scale energy storage. Direct ammonia fuel cells (DAFCs) stand out among ammonia utilization technologies due to their high theoretical energy conversion efficiency and environmental compatibility. Although Pt has been widely regarded as the most effective electrocatalyst for ammonia oxidation in alkaline media compared to other noble metals, designing composite structures of Pt to improve the AOR performance of Pt-based catalysts through carrier modulation is still the best solution for designing fuel cell anode materials at present. This work presents an electrochemical synthesis strategy for in situ reduction of [PtCl 6 ] 2− precursors into Pt nanoparticles anchored on NiFe-layered double hydroxide/nickel foam substrates. The unique structure supplies sufficient OH ad for the gradual dehydrogenation of Pt, the two-dimensional layered structure provides a vast loading space for Pt, and more importantly, the bimetallic nature of LDH modulated the electronic state of Pt and thus further regulated the adsorption state of Pt with N 2 H 4 and was verified by in situ IR spectroscopy, which facilitated the reaction towards the G-M mechanism, reduced the toxicity of the *N atoms, and improved the CV cycling stability of the catalyst. The study of the composite structure of Pt and LDH provided a new approach for the exploration of Pt composite catalysts used in the anode catalysts of DAFC.

CAS / MDL: 18497-13-7
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Tailoring metal-support interactions via spatial confinement of Ni/CeO2 interfaces on h-BN for efficient CO2 methanation

Shuangxi Lin,Longchen Gong,Ning Zhao,Huibo Zhao,Feigang Zhao,Yang Bai,Zhenhua Li,Wen Liu

Modulating metal-support interactions is critical for improving catalytic activity and product selectivity for CO 2 hydrogenation. Such modulation can be achieved by modifying the metal nanoparticles as well as the supports. Here, we prepared a novel catalyst, in which Ni nanoparticles were dispersed on CeO 2 and hexagonal boron nitride (h-BN) hybrid supports. The introduction of h-BN to Ni/CeO 2 -BN effectively improves the dispersion of Ni nanoparticles. More importantly, the abundant Ni-CeO 2 interfacial sites with enriched oxygen vacancies are formed over h-BN edge sites. The dispersed Ni species are anchored on CeO 2 via a unique interfacial structure, with electron-rich Ni (Ni δ− ) species. At the interfacial sites on Ni/CeO 2 -BN, the synergy between oxygen vacancies and Ni δ− , which enhances CO 2 activation and H 2 dissociation, respectively, renders superior catalytic performance for CO 2 methanation. In situ DRIFTS suggests formate as key rate-limiting intermediates on Ni-CeO 2 sites, while the formation of B-H bonds further promotes hydrogen activation and subsequently the catalytic performance. The modulation of metal-support interactions by spatial confinement effect by BN offers a new paradigm for designing metal/oxide catalysts for chemical transformations that requires bifunctionality as CO 2 hydrogenation.

CAS / MDL: 13478-00-7 10043-11-5
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Molecular Catalysis · 2024 · IF 3.9

Quinazolinone-based boron difluoride complexes as photocatalysts for aerobic α- C(sp3)-H oxidation using air as oxidant

Guiyu Chen,Wei Liu,Shiqiang Wang,Yongxiang Miao,Zhibin Song

Quinazolinone-based boron difluoride (BF 2 ) complexes were developed for the synthesis of dihydroisoquinolones, 2-phenylisoindolinone, 1-isochromanone and diarylketone through α-C(sp 3 )-H photooxidation. Seven selected quinazolinone-based BF 2 complexes exhibited good activity for photooxidation reaction using air as oxidant. It is worth noting that quinazolinone-based BF 2 as photocatalysts do not require the introduction of halogen heavy atoms to improve catalytic activity. Mechanism exploration indicated these BF 2 catalysts may involve a single electron transfer (SET) mediated photoredox catalysis to achieve α-C(sp3)-H oxidation. These quinazolinone-based BF 2 catalysts with facile preparation and structural modifiability would be good choice for organic oxidative transformation in the future.

CAS / MDL: 3317-61-1
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SOLAR ENERGY MATERIALS AND SOLAR CELLS · 2024 · IF 6.3

Promising candidate for thermal management: Thermophysical and mechanical properties of h-BN/polyurea@n-eicosane phase change microcapsules

Jianfeng Hu,Jianbin He,Yanping He,Xiaoming Fang,Zhengguo Zhang

Encapsulated phase change materials (MPCMs) can be used to address thermal runaway issues in electronic devices and battery systems in small spaces or flexible requirements. In this work, polyurea microcapsules incorporating h-BN and encapsulating n-eicosane were successfully synthesized. The h-BN was embedded to enhance the microcapsules' thermal conductivity. Comprehensive characterizations revealed that the microcapsules' area change rates before and after phase transition were approximately 3 %. Among the various microcapsules, h/MC-2 exhibited the best performance, with an enthalpy value of 184.37 J/g, an encapsulation efficiency of 79.72 %, and a high thermal storage efficiency of up to 99 %. Moreover, the thermal conductivity coefficient increased by 51.24 % to 0.3297 W/(m·K) due to the addition of h-BN. Mechanical properties testing was conducted on individual h/MC-2 microcapsules, revealing an average nominal rupture tension of 46.31 ± 2.09 N/m and an average Young's modulus of 0.17 ± 0.01 GPa. Furthermore, the h/MC-2 microcapsules were combined with silicone gel to prepare composites, incorporating h-BN to enhance thermal conductivity. The composites were found to reduce the simulative chip temperature by 15.90 %, demonstrating their potential application in thermal management.

CAS / MDL: 10043-11-5 9002-89-5
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Molecular Catalysis · 2025 · IF 4.9

Room-temperature co-precipitation of nickel phosphate-coated Zn0.4Cd0.6S nanorods for enhanced photocatalytic H₂ evolution in water splitting

Shan Lin,Haiyang Xu,Shengjie Wei,Zheng Zhou,Xu Zhang,Xuan Tong,Hangyu Zhou,Xiaodong Ma,Xu Ji,Yue Yang,Le Zhang

To enhance the hydrogen production performance and photo-corrosion resistance of ZnS and CdS based photocatalysts without relying on noble metals such as platinum, ruthenium, or gold, this study optimizes the molar ratio between Cd and Zn in Zn x Cd 1-x S solid solutions. The resulting Zn 0.4 Cd 0.6 S nanorod-shaped solid solutions exhibit superior visible-light photocatalytic activity. A non-precious metal Ni 3 (PO 4 ) 2 nano-thin layer is uniformly deposited onto the surface of the Zn 0.4 Cd 0.6 S solid solution via a room-temperature chemical co-precipitation method. This modification not only prevents oxidative photo-corrosion but also facilitates the oxidation and reduction of water during the photocatalytic surface process, significantly enhancing both the stability and hydrogen production performance of the composite catalyst. Experimental results demonstrate that the performance improvement of Zn 0.4 Cd 0.6 S by the Ni 3 (PO 4 ) 2 cocatalyst is markedly greater than that achieved with the traditional Pt cocatalyst. The maximum hydrogen production rate of the composite catalyst reaches 119.72 mmol·g⁻¹·h⁻¹, with an accumulated hydrogen production of 340.33 mmol·g⁻¹ after 3 hours. After 25 hours of photocatalytic cycling experiments, the hydrogen production rate remains at 95.95 mmol·g⁻¹·h⁻¹, approximately 80.14 % of the initial rate. The apparent quantum yield of Z4C6S-5NPO attains 61.8 %, with high value in ZnCdS-based photocatalysts. These results are promising and offer valuable insights for the development of low-cost, highly stable, and efficient composite photocatalysts.

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COMPOSITE STRUCTURES · 2025 · IF 7.1

Hierarchically engineered Sandwich-Structured h-MXene/ANF hybrid films with tunable electromagnetic interference shielding and exceptional environmental resilience

Fan Xie,Qiaoling Liu,Longhai Zhuo,Haitao Wei,Yuxuan Shang,Tao Liu,Zhaoqing Lu

High-performance electromagnetic interference (EMI) shielding materials with lightweight, multi-resistant properties and superior, tunable EMI shielding performance are urgently needed for next-generation integrated electronic and communication systems, particularly in portable smart devices and artificial intelligence applications. In this work, hollow h-MXene/ANF backbones with a continuous shielding network were fabricated using a facile vacuum-assisted filtration process combined with a sacrificial template method. The structurally engineered h-MXene/ANF hybrid films achieved outstanding EMI shielding effectiveness (EMI SE) of 78.9 dB and EMI specific shielding effectiveness per unit thickness (SSE/t) of 15703 dB·cm 2 ·g –1 . These exceptional properties are attributed to high ohmic losses, multiple internal reflections, polarization relaxation, and efficient losses in the hollow MXene conductive layer, facilitated by impedance mismatches within the sandwich structure. Notably, the EMI SE performance can be tuned by adjusting the content of hollow MXene microspheres. In addition, extensive hydrogen-bonding interactions between the high-performance ANF and MXene contribute to enhanced mechanical properties, including tensile strength of up to 37 MPa, as well as excellent thermal stability and self-cleaning capabilities. Overall, the sandwich-structured h-MXene/ANF hybrid films exhibit superior mechanical strength, multi-resistant properties, and ultra-high, tunable EMI shielding performance, making them promising candidates for advanced EMI shielding in next-generation portable smart electronic devices.

CAS / MDL: 7789-24-4
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CEMENT AND CONCRETE RESEARCH · 2025 · IF 13.1

Contributions of ettringite, C-S-H, and free water to shotcrete's mechanical properties: Implications from equivalent cement pastes

Haochuan Wang,Xin Liu,Chong Wang,Wei Wang,Jinxiang Hong,Pan Feng

Ultra-early mechanical properties are critical for shotcrete performance, significantly influenced by ettringite and calcium silicate hydrate (C-S-H) formed during the initial hydration stage and free water. This study investigates the individual and synergistic effects of these phases on mechanical behavior using equivalent cement pastes. In this system, cement was entirely replaced with dolomite particles of matching size distribution, with the controlled introduction of free water, ettringite, and C-S-H. The validity of these equivalent systems was confirmed through comprehensive characterization. Mechanical performance was subsequently evaluated using compression, shear, Vickers hardness and nanoindentation tests. Results revealed that free water remarkably weakened the mechanical properties, whereas both ettringite and C-S-H enhanced strength by reducing voids and reinforcing weak particle interfaces. Ettringite primarily contributed to interparticle friction, while C-S-H enhanced cohesion at interfaces including dolomite-dolomite, dolomite-ettringite and ettringite-ettringite contacts. When co-existing, C-S-H formed within the porous ettringite network, not only establishing a multi-scale filling structure but also stabilizing the dolomite-ettringite skeleton. These findings advance our understanding of the early-age mechanical development of shotcrete and highlight the potential of equivalent cement systems as robust tools for research into cementitious materials.

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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Enhanced Adsorption of Neonicotinoids by MnCl₂ and H₃PO₄ Co-Modified Corn Stover Biochar: Performance and Mechanism Analysis

Jun Tu,Qiuru Chen,Siyu Ke,Xiaohui Yi,Yiquan Qiu,Ziyi Lin,Shuxiang Yang,Xinzhi Wang,Xiaotong Bai,Mingzhi Huang

In this study, corn stover biochar was prepared and modified with manganese (II) chloride (MnCl 2 ) and phosphoric acid (H 3 PO 4 ) to investigate the adsorption performance and mechanism of neonicotinoids represented by clothianidin (CLO). MnCl 2 promotes pore formation in biomass and enhances activation efficiency, while H 3 PO 4 boosts the specific surface area and adsorption capacity of the product. These properties make them widely used in biomass activation. The modified biochar (Mn-P-BC) exhibited an adsorption capacity of 11.5   mg·L -1 for CLO, representing a 2.8-fold enhancement compared to unmodified biochar (BC). In materials characterization, SEM and BET analysis results show that Mn-P-BC has a developed porous structure, and the surface area increases by 13.7 times compared with BC, which can provide more adsorption sites. According to the electrochemical properties, kinetics, and isotherm analyses, the adsorption mechanism for CLO was identified as involving physicochemical processes. Furthermore, density functional theory (DFT) calculations indicated that Mn-P-BC was more efficient in removing CLO compared to thiamethoxam (THM) and imidacloprid (IMI). It is shown that the mechanism of interaction between Mn-P-BC and CLO mainly involves pore filling, π-π interactions, and hydrogen bonding. In summary, the co-modification of biochar with MnCl 2 and H₃PO₄ significantly improved the adsorption performance of biochar, which provided new insights into the development of adsorbents for neonicotinoid insecticide removal.

CAS / MDL: 13446-34-9 7664-38-2
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JOURNAL OF ORGANIC CHEMISTRY · 2025 · IF 3.6

Pd-Catalyzed Aerobic C–H Carbonylative Esterification of Imidazo[1,2-a]pyridines with Alcohols as the Carbonyl Source

Jiapeng Sun,Hanxiao Luo,Junyong Wang,Hongliang Li,Raorao Zheng,Dingru Qiao,Jiaji Zhao,Yue Yu,Hua Cao

A simple and practical method has been developed for the carbonylative esterification of imidazo[1,2-a]pyridines via C(sp2)–H bond functionalization using alkyl alcohols under mild reaction conditions. The carbonyl fragment is sourced from radical-mediated C–C cleavage of the alcohols, providing a green, safe, and economic alternative to traditional carbonyl sources like carbon monoxide. Through this strategy, a number of imidazo[1,2-a]pyridine-3-carboxylates were obtained from simple substrates by a single step.

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Ambient-temperature α-pinene hydrogenation to cis-pinane over Ru/CeO2-H catalyst via the dimethyl-up configuration

Yu-Xuan Fu,Shu-Yi Huang,Ming-Shuai Sun,Yan Zhou,Dan-Dan Cai,Wen-Shuai Zhu,Wei Hui,Duan-Jian Tao

Current industrial catalysts for α-pinene hydrogenation suffer from harsh reaction conditions and poor selectivity to cis -pinane, primarily due to their inability to effectively adsorb α-pinene in a specific favorable configuration on the catalyst surface. In this study, a high-specific-surface-area, rod-shaped CeO 2 -supported ultra-fine Ru nanoparticle (average particle size of 4 nm) catalyst was synthesized via hydrothermal method for the highly stereoselective hydrogenation of α-pinene to cis -pinane. The resulting Ru/CeO 2 -H catalyst achieved an α-pinene conversion of 99.3 % and an impressive cis -pinane selectivity of up to 99.6 % under exceptionally low temperature (30°C), 0.6 MPa H 2 and 0.5 h with high TOF (1236 h −1 ). Density functional theory (DFT) calculations indicated that α-pinene preferentially adsorbs onto the Ru surface via the backside of its intramolecular dimethyl bridge. This particular adsorption mode lowers the energy barriers for further hydrogenation to generate cis -pinane. The oriented dimethyl-up configuration of α-pinene and ultra-low activation energy (12.04 kJ/mol obtained from kinetic tests) enable the highly selective production of cis -pinane at ambient temperature. Furthermore, the strong interaction between the CeO 2 -H support and highly dispersed Ru, combined with the ambient-temperature reaction conditions, effectively prevents metal nanoparticle agglomeration and coking, imparting the catalyst with exceptional stability. Notably, the catalyst was reused at least 15 times without observing any significant deactivation, demonstrating its significant potential for practical applications.

CAS / MDL: 7440-05-3 7440-06-4
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