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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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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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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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Journal of Energy Chemistry · 2020 · IF 7.216

Charge storage mechanism of MOF-derived Mn2O3 as high performance cathode of aqueous zinc-ion batteries

Min Mao,Xingxing Wu,Yi Hu,Qunhui Yuan,Yan-Bing He,Feiyu Kang

Aqueous Zinc-ion batteries (ZIB) are attracting immense attention because of their merits of excellent safety and quite cheap properties compared with lithium-ion batteries (LIB). Manganese oxide is one of the most important cathode materials of ZIB. In this paper, α-Mn 2 O 3 used as cathode of ZIB is synthesized via Metal-Organic Framework (MOF)-derived method, which delivers a high specific capacity of 225 mAh g −1 at 0.05 A g −1 and 92.7 mAh g −1 after 1700 cycles at 2 A g −1 . The charge storage mechanism of α-Mn 2 O 3 cathode is found to greatly depend on the discharge current density. At lower current density discharging, the H + and Zn 2+ are successively intercalated into the α-Mn 2 O 3 before and after the “turning point” of discharge voltage and their discharging products present obviously different morphologies changing from flower-like to large plate-like products. At a higher current density, the low-voltage plateau after the turning point disappears due to the decrease of amount of Zn 2+ intercalation and the H + intercalation is dominated in α-Mn 2 O 3 . This study provides significant understanding for future design and research of high-performance Mn-based cathodes of ZIB.

研究领域: 材料科学 · 电化学 · 能源存储
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Journal of Materials Chemistry C · 2025 · IF 5.1

Dual Z-Scheme g-C₃N₄/In₂S₃/In₂O₃ for Enhanced Visible-Light H₂ Evolution and Pollutant Degradation

Rui Ding,Wenjuan Zhang,Shiva Pandeya,Xueqing Zhu,Kai Xu,Meixing Gui,Hongbing Wang,Ziliang Li,Qianqian Shang,Mahesh Kumar Joshi

The design of a double Z-type heterojunction represents a promising strategy in photocatalysis to achieve superior charge carrier separation, increased light-harvesting capability, and consequently, a higher photocatalytic reaction rate. Herein, a novel ternary heterojunction with direct dual Z-scheme configuration, g-C3N4/In2S3/In2O3 photocatalyst, was synthesized using a chemical bath and facile calcination process. The XRD, SEM-EDS and XPS results confirmed the successful integration of g-C3N4, In2S3, and In2O3 with preserved crystalline phases. Photocatalytic performances of the ternary composite were evaluated via two effective routes, such as methyl orange (MO) degradation and hydrogen (H2) generation, benchmarked against the pristine g-C3N4 and the g-C3N4/In2S3 and In2S3/In2O3 binary composite, revealing that the in-situ growth of In2O3 onto the g-C3N4/In2S3 composite contributed to the remarkable enhancement of their photocatalytic activity. The photodegradation process follows the pseudo-first order reaction kinetics. The ternary g-C3N4/In2O3/In2S3 heterojunction exhibited 94.8% degradation efficiency of MO with a corresponding rate of 23.4×10-3 min-1, 4.8 times higher than the pristine g-C3N4, and excellent photocatalytic activity in five consecutive cycles. Similarly, the g-C3N4/In2S3/In2O3 heterojunction exhibited a rate constant of ~2.4 mmol h−1 g−1 for H2 generation. This superior enhancement was attributed to the dual Z-scheme charge transfer mechanism. The formation of direct dual Z-scheme heterojunction improved the light harvesting, minimized electron hole recombination, and efficiently facilitated the separation of charge carriers. This work provided a mechanistic insight for engineering multifunctional heterojunction for environmental remediation and pollutant mitigation.

研究领域: 材料科学 · 光催化 · 环境修复 · 能量转换 · 纳米技术
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JOURNAL OF ALLOYS AND COMPOUNDS · 2016 · IF 3.014

h-BN decorated with Fe3O4 nanoparticles through mussel-inspired chemistry of dopamine for reinforcing anticorrosion performance of epoxy coatings

Chunli Zhang,Yi He,Fei Li,Haihui Di,Lei Zhang,Yingqing Zhan

A novel hybrid materials Fe 3 O 4 nanoparticles supported by hexagonal boron nitride (h-BN) is successfully prepared via mussel-inspired chemistry of dopamine by hydrothermal synthesis method. The surface modification and microstructure of h-BN-Fe 3 O 4 are characterized by FT-IR, XRD , XPS, SEM and TEM . The nano-Fe 3 O 4 obtain well dispersion supported by h-BN layer platform, and the h-BN-Fe 3 O 4 hybrid materials exhibit a remarkable superiority in enhancing the anticorrosion performance of epoxy coatings. The lamellar structural h-BN and nano-Fe 3 O 4 provide a significant synergistic effect in anticorrosion performance for epoxy composite coatings . In addition, the anticorrosion mechanisms of h-BN-Fe 3 O 4 are tentatively discussed.

研究领域: 材料科学 · 化学工程
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