FUEL
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2025
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IF 7.5
Asmat Ullah,Gang Dong,Yasir Javed,Anosha Anwer,Dongsheng Geng
The Cu-based catalyst used for electrochemical CO 2 reduction reaction (CO 2 RR) is a capable approach to reducing greenhouse carbon emissions and producing high value-added multi-carbon (C2 + ) products. Unfortunately, the selectivity of the (C2 + ) products is still quite low. Therefore, it is imperative to develop persuasive electrocatalysts to facilitate the conversion of carbon dioxide into valuable chemical products. Here, we design a CuO Nanosheets catalyst with the phase composition of silver (Ag) and Ag metal–organic framework (Ag-MOF) by using the hydrothermal approach. A maximum ethylene faradaic efficiency (FE) of Ag-MOF/CuO NS is achieved as 45.72 % at −1.1 V (vs RHE), while those CuO NS and Ag/CuO NS show 31 % and 14.24 % respectively. Interestingly, the restructured porous nature of Ag-MOF doped CuO NS electrocatalyst is equipped with a high surface area with strong adsorption capacity of CO 2 and increases the oxygen vacancies abundance with high active sites for selective electrocatalysis activity based on as produced Ag-MOF on CuO surface. This indicates that, in heterostructured catalysts, the coordination between CuO and free carboxyl groups considerably can enhance the dimerization of *CO intermediates and provide a strong coordination environment to the Cu valence state with MOF for the selective electrocatalytic CO 2 reduction. Thereby, the reaction pathway is shifted from two electrons to a multi-electron by constructing the oxygen vacancies for the production of multi-carbon products.
研究领域:
材料科学
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环境科学
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化学工程
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高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2026
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IF 4.9
Di-Ming Chen,Yi-Han Rong,Xue-Jing Zhang,Shao-Ming Fang
A novel ultramicroporous Co-MOF has been constructed using a mixed N/O-bifunctional ligand strategy. • It exhibits preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with a C 2 H 6 uptake of 3.9 mmol/g at 1 bar. • The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. • GCMC simulations and DFT calculations reveal that multiple C–H···O and C–H···π interactions contribute to a higher binding energy for C 2 H 6 (−12.22 kcal/mol) than for C 2 H 4 . The separation of ethane (C 2 H 6 ) from ethylene (C 2 H 4 ) is a crucial but energy-intensive process in the petrochemical industry. Developing adsorbents that preferentially capture C 2 H 6 over C 2 H 4 (inverse selectivity) enables one-step production of high-purity C₂H₄. Herein, we report a novel ultramicroporous cobalt-based metal–organic framework, 1 , constructed from a mixed N/O-bifunctional ligand strategy using 4-(4-carboxyphenyl)-1,2,4-triazole (HCPT) and isonicotinic acid (HINA). Single-crystal X-ray diffraction reveals that 1 features one-dimensional rhombic channels with pore dimensions of 4.48–5.81 Å, fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. The activated framework ( 1a ) exhibits a Brunauer–Emmett–Teller surface area of 517 m²/g and shows preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with C 2 H 6 uptake of 3.9 mmol/g at 1 bar. Ideal adsorbed solution theory selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 1.81 at 298 K and 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for energy-efficient ethylene purification. A novel ultramicroporous Co-MOF was constructed using a mixed N/O-bifunctional ligand strategy (HCPT and HINA). The activated framework features one-dimensional rhombic channels (4.48–5.81 Å), fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. It exhibits preferential C₂H₆ adsorption over C₂H₄ at 298 K, with a C₂H₆ uptake of 3.9 mmol/g at 1 bar. The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for one-step ethylene purification. Download: Download high-res image (319KB) Download: Download full-size image
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高影响因子
JOURNAL OF MEMBRANE SCIENCE
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2026
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IF 8.8
Siyao Wang,Tianyou Li,Zeyuan Gao,Lu Bai,Fangxu Fan,Shuang Zhang,Peiyao Niu,Jinyu Li,Gaohong He,Canghai Ma
Carbon molecular sieve (CMS) membranes, with hierarchical pore structures and pronounced molecular sieving effects, are highly promising for C 2 H 4 /C 2 H 6 separation. Conventional CMS membranes typically achieve high C 2 H 4 permeability but only moderate selectivity. Here, we present a rational design strategy by copolymerizing 6FDA with a flexible ether-containing diamine (HFBAPP) and a bulky rigid diamine (FDA). During pyrolysis, ether linkages in HFBAPP generate micropores, while the flexible segments induce local chain packing that selectively hinders C 2 H 6 diffusion. Rigid FDA units reinforce the polymer backbone and increase free volume, creating a synergistic effect that simultaneously enhances C 2 H 4 permeability and C 2 H 4 /C 2 H 6 selectivity. Comparative studies with ether-free 6 F-DABP-FDA membranes confirm the critical role of ether linkages in achieving this balance. Optimizing the HFBAPP/FDA ratio and pyrolysis temperature, the 6 F–HF-FDA (1:1) membrane achieved a C 2 H 4 permeability of 382 Barrer and a C 2 H 4 /C 2 H 6 selectivity of 12.9 at 800 °C, surpassing previously reported CMS upper bounds. This work provides a generalizable design principle for high-performance CMS membranes and advances energy-efficient C 2 H 4 purification technologies.
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高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2020
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IF 5.774
Yadan Du,Yang Chen,Yong Wang,Chaohui He,Jiangfeng Yang,Libo Li,Jinping Li
Ethylene and acetylene are both important starting materials for the production of polyethylene , vinyl chloride, but-2-yne-1,4-diol, etc. To remove trace acetylene effectively from ethylene and the separation of acetylene from carbon dioxide are particularly challenging in the petrochemical industry. Although catalytic hydrogenation or cryogenic distillation for the separation of such light hydrocarbons is a very mature operation in the current petrochemical industry, it still requires huge capital and energy consumptions. Herein, a metal-organic framework (MOF), [Ni 2 (BTEC)(bipy) 3 ] (H 4 BTEC = 1,2,4,5-benzene tetracarboxylic acid, bipy = 4,4′-bipyridine), has been developed for efficient adsorptive separation of C 2 H 2 from C 2 H 2 /C 2 H 4 or C 2 H 2 /CO 2 mixtures. Ni 2 (BTEC)(bipy) 3 exhibited extraordinary two-step adsorption for C 2 H 2 with the adsorption capacity of 76.8 cm 3 /g at 298 K and 1 bar, significantly discriminating from C 2 H 4 (7.9 cm 3 /g) and CO 2 (13.0 cm 3 /g) in the same condition. The huge adsorption difference of Ni 2 (BTEC)(bipy) 3 between C 2 H 2 and C 2 H 4 /CO 2 resulted in the record high uptake ratio for C 2 H 2 /C 2 H 4 (9.7), C 2 H 2 /CO 2 (5.9) and very high ideal adsorption solution selectivity (104, 33.5) in robust MOFs at 298 K and 1 atm. The excellent separation performance was verified by breakthrough experiments; this material could effectively separate C 2 H 2 /C 2 H 4 or C 2 H 2 /CO 2 mixtures directly to obtain high purity of C 2 H 4 (>99.999%) and CO 2 (>99.99%) in one separation cycle. Furthermore, this material could be easily scaled up to be synthesized at room temperature under mild conditions, indicating the great potential in actual industrial applications.
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高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
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IF 8.1
Mingming Xu,Kang Wang,Dongdong Zheng,Mo Li,Fei Xu,Peng Cui,Yao Jiang
The separation of acetylene (C 2 H 2 ) from mixtures with ethylene (C 2 H 4 ) and carbon dioxide (CO 2 ) is crucial yet challenging in the chemical industry. Based on the adsorption separation technology, it is desirable to design and develop efficient adsorbents for C 2 H 2 separation. In this work, we present an adenine-based metal-organic framework (Cu-AD-HEA), which features tailored pore environment with Lewis basic sites within the specific intersecting channels for the separation of C 2 H 2 from mixtures with C 2 H 4 and CO 2 . The obtained Cu-AD-HEA exhibits exceptional adsorption capacity for C 2 H 2 and demonstrates competitive adsorption selectivity for C 2 H 2 /C 2 H 4 and C 2 H 2 /CO 2 . Furthermore, dynamic breakthrough results further illustrate the superior dynamic separation of C 2 H 2 over C 2 H 4 and CO 2 . Moreover, detailed molecular simulations and density functional theory (DFT) calculations elucidate that C 2 H 2 is preferentially captured in a tailored pore environment of Cu-AD-HEA with stronger binding affinity through C H⋯N/O hydrogen bonds and C–H⋯π or π⋯π interactions. This work offers an effective MOF-based adsorbent for the separation of C 2 H 2 from mixtures with C 2 H 4 and CO 2 .
研究领域:
化学工程
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材料科学
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高影响因子
CHEMICAL ENGINEERING SCIENCE
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2026
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IF 5.1
Yao Jiang,Yanyan Feng,Zhengyang Wu,Shungang Yang,Wenqi Hu,Kang Wang,Peng Cui,Lin-Bing Sun
The development of efficient adsorbents for the effective separation of C 3 H 6 /C 2 H 4 mixtures from methanol-to-olefins (MTO) products is critically important yet challenging. In this study, we report two pyrazole-carboxylate-based metal–organic frameworks (MOFs), Ni-PCA-BPY and its methyl-functionalized analogue Ni-MPC-BPY, specifically engineered for efficient C 3 H 6 /C 2 H 4 separation. Compared to Ni-PCA-BPY, the methyl substituents in Ni-MPC-BPY optimize the pore environment precisely, yielding superior C 3 H 6 separation. Adsorption isotherms and breakthrough experiments demonstrate that Ni-MPC-BPY achieves remarkably higher dynamic separation productivity and C 3 H 6 /C 2 H 4 selectivity. Computational simulations further elucidate that this enhanced separation performance originates from a synergistic effect between the tailored microporous structure and strong hydrogen bonding and van der Waals interactions at active sites that facilitate C 3 H 6 adsorption preferentially. This study highlights the potential of the rational design of functionalized MOFs as efficient adsorbents for the practical separation of C 3 H 6 /C 2 H 4 mixtures from industrial MTO products.
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高影响因子
Nature Communications
·
2026
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IF 18.1
Xie Wangjing,Tian Tingting,Yue Shengnan,Gu Hualong,Shi Ningning,Chen Dechao,Praveen C. S.,Huang Xing
The electrocatalytic CO 2 reduction reaction (e-CO 2 RR) on Cu-based catalysts has been extensively studied; however, achieving high selectivity for C 2+ products and long-term durability remains challenging. Here, we introduce a straightforward approach that enhances both C 2 H 4 selectivity and catalyst durability by incorporating a nitrogen-rich Schiff-base Network (SNW), leveraging a synergistic interaction between Cu and SNW. Notably, Cu cubes with SNW, predominantly exposing the Cu(200) facet, achieve a Faradaic Efficiency (FE) of 71.2% for C 2 H 4 at a current density of 265 mA cm −2 , which not only exceeds tetrahedral and spherical Cu with or without SNW, but also ranks competitively among state‑of‑the‑art Cu-based catalysts reported to date. Theoretical calculations suggest that the presence of SNW on Cu facilitates the *CO-*CHO coupling and/or the C 2 H 4 desorption, thereby enhancing C 2 H 4 formation. Furthermore, the Cu(200)-SNW surface exhibits optimized Gibbs free energies for the reaction steps compared to bare Cu and other SNW-modified Cu surfaces, which rationalizes the experimental observations. In situ electron microscopy further suggests that SNW confers durability by stabilizing Cu facets and preventing corrosion and dissolution under reaction conditions.
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高影响因子
ADSORPTION SCIENCE & TECHNOLOGY
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2023
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IF 2.9
Lingzhi Yang,Wenpeng Xie,Qiuju Fu,Liting Yan,Shuo Zhang,Huimin Jiang,Liangjun Li,Xin Gu,Dandan Liu,Pengcheng Dai,Qingbin Zheng,Xuebo Zhao
The separation of acetylene (C2H2) from carbon dioxide (CO2) and the purification of ethylene (C2H4) from C2H2 are quite essential processes for the chemical industry. However, these processes are challenging due to their similar physical properties, including molecule sizes and boiling points. Herein, we report an N-rich cage-based microporous metal-organic framework (MOF), [Cd5(Tz)9](NO3) (termed as Cd-TZ, TZ stands for tetrazole), and its highly efficient separation of C2H2/CO2 and C2H2/C2H4. Single-component gas adsorption isotherms reveal that Cd-TZ exhibits high C2H2 adsorption capacity (3.10 mmol g-1 at 298 K and 1 bar). The N-rich cages in Cd-TZ can trap C2H2 with a higher isosteric heat of adsorption (40.8 kJ mol-1) than CO2 and C2H4 owing to the robust host-guest interactions between the noncoordinated N atoms and C2H2, which has been verified by molecular modeling studies. Cd-TZ shows a high IAST selectivity for C2H2/CO2 (8.3) and C2H2/C2H4 (13.3). The breakthrough simulations confirm the potential for separating C2H2/CO2 and the purification of C2H4 from C2H2.
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高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2026
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IF 4.9
Ping Zhang,Qin-Wen Shi,Wen-Yuan Wu,Jun-Feng Bai
An anionic 3D MOF featuring 9-connected Ni 3 ( μ 3 -OH) secondary building units (SBUs), (Me 2 NH 2 ) 2 [Ni 6 (OH) 2 (Bpdc) 3 (4-Ptz) 6 ]·11H 2 O (NJTU-Bai90; NJTU-Bai denotes Nanjing Tech University Bai’s group), was hydrothermally synthesized using the bifunctional ligands bicyclo[1.1.1]pentane-1,3-dicarboxylic acid (H 2 Bpdc) and 4-(2H-tetrazol-5-yl)pyridine (4-HPtz). This MOF crystallizes in I-43 m space group and possesses intersecting 3D channels packed by trigonal-pyramidal and tetrahedral cages. Tailored for reversible C 2 H 6 adsorption and one-step purification of polymer-grade C 2 H 4 , NJTU-Bai90 not only has a high BET surface area of 1465.7 m 2 g −1 but also exhibits excellent stability in aqueous solutions at room temperature for at least one month. NJTU-Bai90 exhibits superior C 2 H 6 uptake (97.6 cm 3 g −1 at 298 K and 82.5 cm 3 g −1 at 308 K, both measured at 1 bar) in comparison with C 2 H 4 (85.5 cm 3 g −1 at 298 K and 68.4 cm 3 g −1 at 308 K, both measured at 1 bar). Remarkable IAST selectivity values (1.51 and 1.56, respectively) are maintained even at elevated temperatures. Furthermore, dynamic breakthrough experiments demonstrate that a C 2 H 6 /C 2 H 4 mixture (1/15, v/v) can be efficiently separated in one step and that polymer-grade C 2 H 4 yielding with a productivity of 19.1 mL g −1 at 298 K and 1 bar. The distinct retention times of C 2 H 6 and C 2 H 4 on NJTU-Bai90-packed separation columns further highlight the material’s great potential for industrial gas separation applications.
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高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2024
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IF 9.4
Qiuling Chen,Shun Wang,Baoji Miao,Qiuping Chen
The creation of a Z-scheme heterojunction is a sophisticated strategy to enhance photocatalytic efficiency. In our study, we synthesized an In 2 S 3 /MnO 2 /BiOCl dual Z-scheme heterostructure by growing BiOCl nanoplates on the sheets of In 2 S 3 nanoflowers, situated on the surface of MnO 2 nanowires. This synthesis involved a combination of hydrothermal and solution combustion methods. Experiments and density functional theory (DFT) calculations demonstrated that the In 2 S 3 /MnO 2 /BiOCl composite exhibited notable photo reduction performance and photocatalytic stability. This was attributed to the pivotal roles of BiOCl and MnO 2 in the composite, acting as auxiliaries to enhance the electronic structure and facilitate the adsorption/activation capacity of CO 2 and H 2 O. The yield rates of CO, CH 4 , and C 2 H 4 over In 2 S 3 /MnO 2 /BiOCl as the catalyst were 3.94, 5.5, and 3.64 times higher than those of pure In 2 S 3 , respectively. Photoelectrochemical analysis revealed that the dual Z-scheme heterostructure, with its oxygen vacancies and large surface area, enhanced CO 2 absorption and active sites on the nanoflower/nanowire intersurfaces. Consequently, the dual Z-scheme charge transfer pathway provided efficient channels for boosting electron transfer and charge separation, resulting in high C 2 H 4 , CH 4 , and CO yields of formed and exihibits an promising photoreduction rate of CO 2 to CO (51.2 µmol/g.h), CH 4 (42.4 µmol/g.h) and C 2 H 4 (63.2 µmol/g.h), respectively. DFT, in situ Diffuse reflectance infrared fourier transform spectroscopy, and temperature-programmed desorption tests were employed to verify the intermediates pathway. The study proposed a potential photocatalytic mechanism based on these findings.
研究领域:
材料科学
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环境科学
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化学工程
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DOI
PubMed
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2021
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IF 3.171
Xionghui Liu,Jianfeng Du,Yu Ye,Yuchuan Liu,Shun Wang,Xianyu Meng,Xiaowei Song,Zhiqiang Liang,Wenfu Yan
Nitrogen-rich porous organic polymers have shown great potentials in gas adsorption/separation, photocatalysis , electrochemistry, sensing and so on. Herein, 1,2,3-triazole functionalized triazine-based porous organic polymers (TT-POPs) have been synthesized by the copper-catalyzed azide-alkyne cycloaddition (Cu-AAC) polymerization reactions of 1,3,5-tris(4-azidophenyl)-triazine with 1,4-diacetylene benzene and 1,3,5-triacetylenebenzene, respectively. The characterizations of N 2 adsorption at 77 K show TT-POPs possess permanent porosity with BET surface areas of 666 m 2 ·g −1 (TT-POP-1) and 406 m 2 ·g −1 (TT-POP-2). The adsorption capacities of TT-POPs for CO 2 , CH 4 , C 2 H 2 and C 2 H 4 , as well as the selective separation abilities of CO 2 /N 2 , CO 2 /CH 4 , C 2 H 2 /CH 4 and C 2 H 4 /CH 4 were evaluated. The gas selective separation ratio of TT-POPs was calculated by the ideal adsorbed solution theory (IAST) method, wherein the selective separation ratios of C 2 H 2 /CH 4 and C 2 H 4 /CH 4 of TT-POP-2 was 48.4 and 13.6 (298 K, 0.1 MPa), which is comparable to other adsorbents (5.6–120.6 for C 2 H 2 /CH 4 , 10–26 for C 2 H 4 /CH 4 ). This work shows that the 1,2,3-triazole functionalized triazine-based porous organic polymer has a good application prospect in natural gas purification.
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高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2026
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IF 3.9
Jiaman Wang,Zekai Cui,Yuechang Wei,Zhiling Tang,Jing Xiong,Yingli Wang,Xiong Wang,Xuanzhen Li,Yunpeng Liu,Zhen Zhao
The efficiency of electron utilization and C–C coupling is crucial to the selectivity of photocatalytic CO2 reduction to multicarbon (C2+) hydrocarbon products. Herein, the multifunctional catalyst of TiO2-modified W18O49 nanospheres (TimWOx) was successfully fabricated by in situ growth hydrothermal method. The distinct interfacial energy between W18O49 and TiO2 can promote the charge redistribution at the asymmetric Ti–O–W active sites and facilitate the formation of an internal electric field (IEF). Photogenerated electrons driven by the IEF can improve the dynamic electron shuttling between Ti and W centers for enhancing electron utilization efficiency during CO2 photoreduction. TimWOx catalysts exhibit high activity for photocatalytic CO2 reduction to C2+ products, i.e., the yield and selectivity of C2H4 over Ti0.25WOx are 46.3 μmol·g–1 and 72.01%, respectively, which is 7.25 times that of pristine W18O49. Combined with the results of in situ diffuse reflectance infrared Fourier transform spectra and DFT calculations, the photocatalytic mechanism is proposed: the protonation the *OCCOH intermediate is key step for selective photocatalytic CO2 reduction into C2H4, and the energy barrier for the protonation of the *OCCOH intermediate is lowered by IEF-induced dynamic electron shuttling, which selectively steers the reaction pathway toward C2H4 formation. This work highlights the role of interfacial electric fields in guiding electron shuttling for selective photocatalytic C–C coupling, which benefits developing highly efficient photocatalysts.
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高影响因子
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