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学者姓名：陈标华
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Abstract ：
This work systematically investigates CO2 capture with hydrophobic halogen-free natural deep eutectic solvents (NADES) as absorbents from both thermodynamic and molecular perspectives. A series of NADES consisting of decanoic acid, menthol, thymol, and lidocaine as hydrogen bond acceptors/donors (HBAs/HBDs) were prepared, and the CO2 solubility in them was determined experimentally. Perturbed-Chain Statistical Associating Fluid Theory has been first extended to simultaneously predict the thermodynamic properties (i.e., Henry's constants, enthalpy change, Gibbs free energy change and entropy change for CO2 absorption in NADESs) as well as viscosity by combining with entropy scaling theory. Molecular insights into the structure-property relationship between different HBA/HBD structures and CO2 solubility were revealed by quantum chemical calculations and molecular dynamics simulations. This work provides theoretical guidance for the development and screening of novel NADES for efficient CO capture.
Keyword ：
entropy scaling theory entropy scaling theory viscosity viscosity NADES NADES molecular mechanism molecular mechanism CO2 solubility CO2 solubility
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| GB/T 7714 | Yu, Gangqiang , Fu, Yuxuan , Mu, Wenbo et al. CO2 capture with hydrophobic halogen-free natural deep eutectic solvents: Perturbed-Chain Statistical Associating Fluid Theory modeling and molecular insights [J]. | AICHE JOURNAL , 2025 , 71 (8) . |
| MLA | Yu, Gangqiang et al. "CO2 capture with hydrophobic halogen-free natural deep eutectic solvents: Perturbed-Chain Statistical Associating Fluid Theory modeling and molecular insights" . | AICHE JOURNAL 71 . 8 (2025) . |
| APA | Yu, Gangqiang , Fu, Yuxuan , Mu, Wenbo , Wang, Nan , Jovein, Iman Bahrabadi , Chen, Biaohua et al. CO2 capture with hydrophobic halogen-free natural deep eutectic solvents: Perturbed-Chain Statistical Associating Fluid Theory modeling and molecular insights . | AICHE JOURNAL , 2025 , 71 (8) . |
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Abstract ：
This work proposes a novel strategy for enhancing Li+ extraction from salt-lake brines with the high Mg2+/Li+ ratio using dicationic ionic liquid (DIL)-based extractants. The ternary mixture of the DIL [DOMIM][Tf2N]2, tributyl phosphate (TBP), and dichloromethane (DCM) as a diluent achieved a higher single-stage Li+ extraction efficiency (86.40%) and separation selectivity of Li+/Mg2+ (302.37) compared with the ternary mixture based on monocationic IL [OMIM][Tf2N] instead of the DIL. The high Li+ extraction performance could be maintained over five-cycle regeneration. Electrolyte perturbed-chain statistical associating fluid theory was used to qualitatively predict activity coefficients of Li+ and Mg2+ in the organic phase of the so-called "organic-inorganic complex strong electrolyte system." The DIL-enhanced extraction mechanisms at the molecular level (i.e., Li+ extracted the form of 2Li+ + 3TBP + 2[Tf2N]- complex) was revealed by slope analysis spectrum characters and quantum chemical calculations. This study provides guidance for the rational design of new IL-based extractants for high-efficiency Li+ extraction from brines.
Keyword ：
quantum chemical calculation quantum chemical calculation molecular mechanism molecular mechanism dicationic ionic liquid dicationic ionic liquid ePC-SAFT model ePC-SAFT model extraction of lithium extraction of lithium
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| GB/T 7714 | Yu, Gangqiang , Li, Yufeng , Zhang, Xinhe et al. Lithium extraction from salt-lake brines using dicationic ionic liquids: ePC-SAFT modeling and molecular mechanisms [J]. | AICHE JOURNAL , 2025 , 71 (9) . |
| MLA | Yu, Gangqiang et al. "Lithium extraction from salt-lake brines using dicationic ionic liquids: ePC-SAFT modeling and molecular mechanisms" . | AICHE JOURNAL 71 . 9 (2025) . |
| APA | Yu, Gangqiang , Li, Yufeng , Zhang, Xinhe , Jovein, Iman Bahrabadi , Figiel, Paul , Chen, Biaohua et al. Lithium extraction from salt-lake brines using dicationic ionic liquids: ePC-SAFT modeling and molecular mechanisms . | AICHE JOURNAL , 2025 , 71 (9) . |
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Abstract ：
The direct transformation of methane into methanol (DMTM) remains a significant challenge of C1 chemistry. Herein, we investigate continuous N2O-DMTM over Cu-FER zeolite. A two-dimensional (2D) spatial structure-favored tandem catalysis is for the first time elucidated, which leads to boosted (CH3OH + DME) productivity, corresponding to 2736 mu mol gcat-1 h-1 or 58 368 mmol per molCu per h of CH3OH, and improved reaction stability (passing through a 100 h long-term test). A unique dual Cu single-atom site located at the parallel 6-membered ring (MR) of the 8 MR channel could be generated, which serves as the primary CH3OH production active site exhibiting much higher activity than the traditional monomeric [Cu]+ and Cu dimer sites. The generated CH3OH can subsequently diffuse from the 8 MR channel into a 10 MR main channel and directly react with the radicals of CH3- and OH- to produce DME not only favoring DME production but also efficiently preventing carbon deposition. The present work highlights a tandem catalysis over Cu-FER that would substantially favor the design of other efficient catalysts for N2O-DMTM.
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| GB/T 7714 | Liu, Ning , Zhang, Tingting , Dai, Chengna et al. 2D spatial structure-favored, tandem catalysis-boosted direct transformation of methane to methanol over Cu-FER [J]. | CHEMICAL SCIENCE , 2025 , 16 (28) : 13082-13095 . |
| MLA | Liu, Ning et al. "2D spatial structure-favored, tandem catalysis-boosted direct transformation of methane to methanol over Cu-FER" . | CHEMICAL SCIENCE 16 . 28 (2025) : 13082-13095 . |
| APA | Liu, Ning , Zhang, Tingting , Dai, Chengna , Xu, Ruinian , Yu, Gangqiang , Wang, Ning et al. 2D spatial structure-favored, tandem catalysis-boosted direct transformation of methane to methanol over Cu-FER . | CHEMICAL SCIENCE , 2025 , 16 (28) , 13082-13095 . |
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Abstract ：
Superlattice hydrogen storage alloys have attracted much attention due to their high capacity, excellent cyclic stability, and moderate operating conditions. This review, focusing on journal articles published between 2020 and 2025, comprehensively covers the impacts of doping with different rare-earth elements and the substitution of different elements on superlattice hydrogen storage alloys and details the influence mechanisms of different preparation methods, such as arc melting and powder metallurgy, on the phase structure of alloys. A thorough analysis is conducted on how rare-earth element doping alters the crystal structure, lattice parameters, and phase stability of alloys, thereby affecting their hydrogen storage performance. Meanwhile, the differences in the effects of different substituting elements at various substitution sites on the phase structure and hydrogen storage performance of alloys are explored, and the regular patterns and influencing factors are summarized. This review provides a new perspective for the design and development of high-performance superlattice hydrogen storage alloys and is expected to contribute to the long-term and sustainable development of clean hydrogen energy.
Keyword ：
phase structure phase structure element substitution element substitution superlattice hydrogen storage alloys superlattice hydrogen storage alloys rare-earth element doping rare-earth element doping hydrogen storage capacity hydrogen storage capacity
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| GB/T 7714 | Zhang, Yuqing , Zhang, Yajie , He, Tianmeng et al. Advances in Superlattice Hydrogen Storage Alloys: Preparation Method, Phase Structure Modulation, and Hydrogen Storage Performance [J]. | MOLECULES , 2025 , 30 (10) . |
| MLA | Zhang, Yuqing et al. "Advances in Superlattice Hydrogen Storage Alloys: Preparation Method, Phase Structure Modulation, and Hydrogen Storage Performance" . | MOLECULES 30 . 10 (2025) . |
| APA | Zhang, Yuqing , Zhang, Yajie , He, Tianmeng , Wang, Hao , Zhang, Shubin , Wang, Jinpeng et al. Advances in Superlattice Hydrogen Storage Alloys: Preparation Method, Phase Structure Modulation, and Hydrogen Storage Performance . | MOLECULES , 2025 , 30 (10) . |
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Abstract ：
The escalating emission of CO2 has caused a significant environmental impact. Hydrogenation of CO2 to methanol stands as the primary objective in the liquid sunlight vision, aiming to mitigate CO2 emissions. CuZn-based transition metal catalysts, known for their cost-effectiveness, demonstrate commendable catalytic performance at moderate temperatures and pressures, showcasing considerable potential in industrial applications. Consequently, a series of catalysts, composed of CuZn-based species supported on CeO2 with strategically introduced appropriate oxygen vacancies, were meticulously prepared. It worth to noting that the size of Cu was precisely tuned, along with the enhanced ability to the adsorption and activation of CO2 and H-2. As a result, the optimal CuZn/CeO2 catalyst exhibits high methanol formation rate, recording at 433.4 g(MeOH) kg(cat)(-1) h(-1) with selectivity of 68.5% at 260 degrees C and 3 MPa. Simultaneously, the reaction path and the evolution of intermediates in CO2 hydrogenation was thoroughly delineated.
Keyword ：
Oxygen vacancy Oxygen vacancy CH3OH selectivity CH3OH selectivity CO2 hydrogenation CO2 hydrogenation Copper size effect Copper size effect
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| GB/T 7714 | Zhang, Lan , Hu, Xiaomin , Wang, Ning et al. The copper size effect of CuZn/CeO2 catalyst in CO2 hydrogenation to methanol [J]. | CATALYSIS TODAY , 2024 , 436 . |
| MLA | Zhang, Lan et al. "The copper size effect of CuZn/CeO2 catalyst in CO2 hydrogenation to methanol" . | CATALYSIS TODAY 436 (2024) . |
| APA | Zhang, Lan , Hu, Xiaomin , Wang, Ning , Chen, Biaohua . The copper size effect of CuZn/CeO2 catalyst in CO2 hydrogenation to methanol . | CATALYSIS TODAY , 2024 , 436 . |
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Abstract ：
CO2 oxidative dehydrogenation of propane (CO2-ODHP), being not only favorable for olefin production but also beneficial for CO2 emission control, has recently attracted great attention. Here, a series of single metal (Cr) and bimetal (Zr, La, Fe) modified ZSM-5 zeolites were prepared via an impregnation method. It was found that the bimetal modified ZSM-5 possessed much higher C3H8 and CO2 conversion than that of monometallic modified Cr-3%-ZSM-5 (Cr3%-Z5), especially for Cr3%Zr2%-ZSM-5 (Cr3%Zr2%-Z5), which displayed the highest activity (w65.4%) and olefin yield (1.65 x 10(3) mu mol.g(cat)(-1) h(-1)). Various characterizations were performed, including XRD, N-2 adsorption-desorption, H2-TPR, Raman, XPS, HAAD-STEM, and TEM. It was revealed that Zr not only favored an improvement in the redox ability of Cr, but also contributed to the surface dispersion of loaded Cr species, constituting two major reasons explaining the superior activity of Cr3%Zr2%-Z5. To further improve CO2-ODHP catalytic behavior, a series of Cr3%-ZSM-5@SBA-15-n composite zeolite catalysts with diverse (ZSM-5/SBA-15) mass ratios were prepared (Cr-3%-ZS-n, n = 0.5, 2, 6, 16), which screened out an optimum mass ratio of six. Based on this, the Cr-3% Zr2%-ZS-6 compound was further prepared, and it eventually achieved even higher CO2-ODHP activity (76.9%) and olefin yield (1.72 x 10(3) mu mol.g(-1) cat h(-1)). Finally, the CO2-ODHP reaction mechanism was further investigated using in situ FTIR, and it was found that the reaction followed the Mars-van Krevelen mechanism, wherein CO2 participated in the reaction through generation of polydentate carbonates. The Cr6+ constituted as the active site, which was reduced to Cr3+ after the dihydrogen reaction, and was then further oxidized into Cr6+ by CO2, forming polydentate carbonates, and thus cycling the reactive species C-r6+. Additionally, assisted by a Bronsted acid site (favoring breaking of the C-C bond), C2H4 and CH4 were produced.
Keyword ：
propane oxidative to olefin propane oxidative to olefin molecular sieve catalysts molecular sieve catalysts chromium-based catalysts chromium-based catalysts CO2 CO2
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| GB/T 7714 | Xing, Mingqiao , Liu, Ning , Dai, Chengna et al. CO2 Oxidative Dehydrogenation of Propane to Olefin over Cr-M (M = Zr, La, Fe) Based Zeolite Catalyst [J]. | CATALYSTS , 2024 , 14 (6) . |
| MLA | Xing, Mingqiao et al. "CO2 Oxidative Dehydrogenation of Propane to Olefin over Cr-M (M = Zr, La, Fe) Based Zeolite Catalyst" . | CATALYSTS 14 . 6 (2024) . |
| APA | Xing, Mingqiao , Liu, Ning , Dai, Chengna , Chen, Biaohua . CO2 Oxidative Dehydrogenation of Propane to Olefin over Cr-M (M = Zr, La, Fe) Based Zeolite Catalyst . | CATALYSTS , 2024 , 14 (6) . |
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Abstract ：
The electrochemical hydrogen evolution reaction (HER) has become one of effective ways to produce hydrogen. MoS2 is a promising electrocatalyst for the HER, and loading noble metal atoms on MoS2 support can further enhance its HER activity. In present work, the CO was employed as a structure-directing agent to in situ synthesize MoS2-n (n = 0, 0.5, 1.0, 1.4 and 2.0 MPa, representing the CO pressure). Among them, the MoS2-1.4 with highest amounts of sulfur vacancies and superior alkaline HER performance was selected as the support for Ru loadings. Sulfur vacancies can stabilize Ru nanoparticles, prevent nanoparticles from aggregating, and facilitate the formation of small-sized nanoparticles. By optimizing the loading amounts of Ru, the 5Ru@MoS2-1.4 with the Ru loading of 5 wt.% and nanoparticle size of 2 nm exhibits the best alkaline HER activity by displaying a low overpotential of 55 mV and Tafel slope of 68.6 mV dec- 1 at a current density of 10 mA cm-2 in 1.0 M KOH medium. This can be majorly related to the synergistic effect of MoS2-1.4 support and small-sized Ru nanoparticles, wherein the CO plays a significant role in regulating the structure of MoS2-1.4 support that favors dispersion of Ru nanoparticles. Generally, present work provides a strategy to enhance the HER catalytic performance of MoS2, which is favorable for other highly-efficient catalyst design.
Keyword ：
Hydrogen evolution reaction Hydrogen evolution reaction Ru nanoparticles Ru nanoparticles CO structure-directing agent CO structure-directing agent Sulfur vacancies Sulfur vacancies MoS2 MoS2
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| GB/T 7714 | Liu, Lei , Liu, Ning , Dai, Chengna et al. MoS 2 supported Ruthenium nanoparticles with abundant sulfur vacancies significantly improved hydrogen evolution reaction [J]. | CATALYSIS TODAY , 2024 , 436 . |
| MLA | Liu, Lei et al. "MoS 2 supported Ruthenium nanoparticles with abundant sulfur vacancies significantly improved hydrogen evolution reaction" . | CATALYSIS TODAY 436 (2024) . |
| APA | Liu, Lei , Liu, Ning , Dai, Chengna , Xu, Ruinian , Yu, Gangqiang , Wang, Ning et al. MoS 2 supported Ruthenium nanoparticles with abundant sulfur vacancies significantly improved hydrogen evolution reaction . | CATALYSIS TODAY , 2024 , 436 . |
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Abstract ：
Selective extraction of Li+ from high Mg2+/Li+ ratio brines with ionic liquid (IL) based collaborative extractants was investigated by experiments, thermodynamic analyses, and quantum chemical (QC) calculations. Effects of different IL cationic structures and organophosphorus ligands on extraction performances were studied. The results demonstrated that the system 1-(2-hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl) imide + trioctyl phosphate ([HOEMIM][Tf2N] + TOP) was considered as the best extractant, with the very high extraction efficiency of Li+ (83.16 %) and separation selectivity of Li+/Mg2+ (742.11), which is higher than values reported in literature. The thermodynamic model ePC-SAFT was first extended to quantitatively predict the phase equilibria of the so-called "organic-inorganic complex strong electrolyte system" presented in this work. The molecular-level extraction mechanism was explored by QC calculation, indicating that the strong multi-site intermolecular interactions between Li+ and [HOEMIM][Tf2N] + TOP break the Li+ hydration. This work provides guidance to rationally design novel IL-based extractants for efficient extraction of Li+
Keyword ：
Quantum chemical calculation Quantum chemical calculation Molecular mechanism Molecular mechanism Ionic liquid Ionic liquid Extraction of lithium Extraction of lithium ePC-SAFT ePC-SAFT
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| GB/T 7714 | Yu, Gangqiang , Zhang, Xinhe , Hubach, Tobias et al. Highly efficient lithium extraction from magnesium-rich brines with ionic liquid-based collaborative extractants: Thermodynamics and molecular insights [J]. | CHEMICAL ENGINEERING SCIENCE , 2024 , 286 . |
| MLA | Yu, Gangqiang et al. "Highly efficient lithium extraction from magnesium-rich brines with ionic liquid-based collaborative extractants: Thermodynamics and molecular insights" . | CHEMICAL ENGINEERING SCIENCE 286 (2024) . |
| APA | Yu, Gangqiang , Zhang, Xinhe , Hubach, Tobias , Chen, Biaohua , Held, Christoph . Highly efficient lithium extraction from magnesium-rich brines with ionic liquid-based collaborative extractants: Thermodynamics and molecular insights . | CHEMICAL ENGINEERING SCIENCE , 2024 , 286 . |
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Abstract ：
Hydrogen production by the electrolysis of water is a green and efficient method, which is of great significance for achieving sustainable development. Molybdenum disulfide (MoS2) is a promising electrocatalyst for hydrogen evolution reaction (HER) due to its high electrochemical activity, low cost, and abundant reserves. In comparison to the noble metal Pt, MoS2 has poorer hydrogen evolution performance in water electrolysis. Therefore, further modifications of MoS2 need to be developed aiming at improving its catalytic performance. The present work summarizes the modification strategies that have been developed in the past three years on hydrogen evolution from water electrolysis by utilizing MoS2 as the electrocatalyst and following the two aspects of internal and external modifications. The former includes the strategies of interlayer spacing, sulfur vacancy, phase transition, and element doping, while the latter includes the heterostructure and conductive substrate. If the current gap in this paper's focus on modification strategies for electrocatalytic hydrogen evolution in water electrolysis is addressed, MoS2 will perform best in acidic or alkaline media. In addition to that, the present work also discusses the challenges and future development directions of MoS2 catalysts.
Keyword ：
modification strategies modification strategies molybdenum disulfide molybdenum disulfide hydrogen evolution reaction hydrogen evolution reaction
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| GB/T 7714 | Liu, Lei , Liu, Ning , Chen, Biaohua et al. Recent Modification Strategies of MoS2 towards Electrocatalytic Hydrogen Evolution [J]. | CATALYSTS , 2024 , 14 (2) . |
| MLA | Liu, Lei et al. "Recent Modification Strategies of MoS2 towards Electrocatalytic Hydrogen Evolution" . | CATALYSTS 14 . 2 (2024) . |
| APA | Liu, Lei , Liu, Ning , Chen, Biaohua , Dai, Chengna , Wang, Ning . Recent Modification Strategies of MoS2 towards Electrocatalytic Hydrogen Evolution . | CATALYSTS , 2024 , 14 (2) . |
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Abstract ：
本发明涉及一种己二酸尾气中N2O的资源化利用方法，在不使用催化剂的条件下，仍可以将已二酸尾气中的N2O进行处理，并且能进一步生产出具有工业价值的硝酸和不会对环境造成影响的氮气与氧气，在达到对己二酸尾气中N2O进行处理的同时产生经济效益，且工艺简单、N2O脱除率高、稳定性高、环境友好和资源化利用率高，还能大幅度降低尾气催化处理的成本。并且本发明的方法能够连续运转，能够持续解决己二酸工业尾气排放问题，使其达到工业排放标准，降低企业处理尾气的成本，具有重要的现实意义和工程应用价值。
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| GB/T 7714 | 陈标华 , 潘磊 , 徐瑞年 . 一种己二酸尾气中N2O的资源化利用方法 : CN202310610004.0[P]. | 2023-05-26 . |
| MLA | 陈标华 et al. "一种己二酸尾气中N2O的资源化利用方法" : CN202310610004.0. | 2023-05-26 . |
| APA | 陈标华 , 潘磊 , 徐瑞年 . 一种己二酸尾气中N2O的资源化利用方法 : CN202310610004.0. | 2023-05-26 . |
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