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Molecular Catalysis · 2022 · IF 5.089

Can CO2 be a catalyst? Yes, CO2-catalyzed N-formylation of aliphatic amines with DMF

Xiao-Chao Chen,Lin Guo,Guang-Hui Shi,Kai-Chun Zhao,Yong Lu,Ye Liu

Carbon dioxide (CO 2 ) was found to serve as a novel and green catalyst for the first time in N -formylation of amines with N, N -dimethylformamide (DMF), wherein only the aliphatic amines were applicable to afford the formamides in the yield of 71∼95%. The isotope labeling experiment with DMF- d 7 indicated that the N -formyl group in the formylated product was originated from DMF rather than CO 2 . The control experiments and the in situ high-pressure FT-IR spectra demonstrated that the formation of the carbamate salt of cyclohexylammonium cyclohexylcarbamate ( A ) derived from the reaction of CO 2 with cyclohexylamine was the driving force for this reaction. Accordingly, the mechanism of CO 2 -catalyed N -formylation of aliphatic amines with DMF was proposed, involving the formation of carbamate salt intermediate with enhanced nucleophilicity in anion in favor of the attack on carbonyl-group of DMF.

研究领域: 有机化学 · 绿色化学
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SOLAR ENERGY MATERIALS AND SOLAR CELLS · 2024 · IF 6.3

Enhancing the performance of CZTSSe solar cells via an alternate spin-coating process with DMSO and DMF

Yunjie Bai,Yiming Wang,Ruijian Liu,Yu He,Yuhao Zhang,Chu Liu,Hongmei Luan,Yanchun Yang,Chengjun Zhu

The CZTSSe absorber layer prepared with DMSO exhibits extensive cavities at its bottom, and a prominent double-layer structure is frequently observed within the CZTSSe absorber synthesized using DMF , both of which have a detrimental impact on the device performance. In this paper, an alternate spin-coating process using DMSO and DMF solvent systems is proposed, which eliminates the double-layer structure of CZTSSe and reduces the number of cavities at the bottom of the absorber layer, thereby enhancing its overall quality. This method outperforms the traditional single-solution spin-coating technique by combining the advantages of two solvent systems, allowing for the preparation of an ideal CZTSSe film without disturbing the elemental ratio, ultimately resulting in a single-layer absorber composed of large grains. After three repetitions of an identical alternate spin-coating process, the average grain size of the absorber layer increased from 0.83 to 1.21 μm. This innovative process leads to a reduction in carrier recombination and an improvement in the short-circuit current density, ultimately raising the photoelectric conversion efficiency from 7.40% to 8.88%.

研究领域: 材料科学 · 能源技术
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Advanced Science · 2022 ·Vol. 9 ·期 20 ·2201241 · IF 17.521

DMF-Based Large-Grain Spanning Cu2ZnSn(Sx,Se1-x)4 Device with a PCE of 11.76%

Yubo Cui,Mengyang Wang,Peizhe Dong,Shuangshuang Zhang,Junjie Fu,Libo Fan,Chaoliang Zhao,Sixin Wu,Zhi Zheng

A main concern of the promising DMF-based Cu 2 ZnSn(S x ,Se 1- x ) 4 (CZTSSe) solar cells lies in the absence of a large-grain spanning structure, which is a key factor for high open-circuit voltage ( V oc ) and power conversion efficiency (PCE). A new strategy to achieve CZTSSe large-grain spanning monolayer is proposed, by taking advantage of the synergistic optimization with a Cu 2+ plus Sn 2+ redox system and pre-annealing temperatures. A series of structural, morphological, electrical, and photoelectric characterizations are employed to study the effects of the pre-annealing temperatures on absorber qualities, and an optimized temperature of 430 ℃ is determined. The growth mechanism of the large-grain spanning monolayer and the effect of redox reaction rate are carefully investigated. Three types of absorber growth mechanisms and a concept of critical temperature are proposed. The devices based on this large-grain spanning monolayer suppress the recombination of carriers at crystal boundaries and interfaces. The champion device exhibits a high V oc (>500 mV) and PCE of 11.76%, which are both the maximum values among DMF-based solar cells at the current stage.

研究领域: 材料科学 · 太阳能电池研究
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Solar RRL · 2018 ·Vol. 2 ·期 6 ·1800044 · IF 0

10.3% Efficient CuIn(S,Se)2 Solar Cells from DMF Molecular Solution with the Absorber Selenized under High Argon Pressure

Jingjing Jiang,Shaotang Yu,Yuancai Gong,Weibo Yan,Rui Zhang,Shujuan Liu,Wei Huang,Hao Xin

Fabricating high performing chalcopyrite absorber material from environmental benign solvent is very important for large scale manufacturing production. Here, N, N-dimethylformamide (DMF) is used as a single solvent to make CuIn(S,Se) 2 (CIS) molecular precursor solution and fabricate CIS absorber material. A power conversion efficiency of 10.3% has been achieved from film selenized under 1.6 atmosphere Ar pressure which is 0% for film selenized under 1 atmosphere pressure. Characterizations using XRD, SEM, TEM, EDX reveal a Cu-rich absorber material consisting of loosely connected grains with vertical holes in film selenized under 1 atmosphere and a Cu-poor compact large-grain top layer with large hole bottom layer in film selenized under high Ar pressure. Further optimization of precursor formulation and device fabrication conditions to address the non-perfect double layer structure is expected to further improve DMF solution processed CIS solar cell efficiency. Our results demonstrate annealing precursor film under increased atmosphere pressure is a new and promising strategy to fabricate high performing thin film solar cells, which can be applied to all solution processed chalcogenide solar cells including CIS, CIGS and CZTS.

研究领域: 材料科学 · 能源技术
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ENVIRONMENTAL RESEARCH · 2023 · IF 8.3

DMF mineralization and substrate specificity mechanism of Aminobacter ciceronei DMFA1

Baihui Chi,Fei Li,Xukang Wang,Haixia Pan,Xianliang Yi,Yang Liu,Jingjing Zhan,Xuwang Zhang,Hao Zhou,Wenyuan Wang

N,N-dimethylformamide (DMF) is widely used in various industries, but its direct release into water poses high risks to human beings. Although a lot of DMF-degrading bacteria has been isolated, limited studies focus on the degradation preference among DMF and its analogues. In this study, an efficient DMF mineralization bacterium designated Aminobacter ciceronei DMFA1 was isolated from marine sediment . When exposed to a 0.2% DMF (∼1900 mg/L), strain DMFA1 exhibited a degradation efficiency of 100% within 4 days. The observed growth using formamide as the sole carbon source implied the possible DMF degradation pathway of strain DMFA1. Meanwhile,the strain DMFA1 possesses a broad-spectrum substrate degradation, which could effectively degraded 0.2% N,N-dimethylacetamide (DMAC) and N-methylformamide (NMF). Genomic analysis further confirmed the supposed pathway through annotating the genes encoding N, N-dimethylformamidase (DMFase), formamidase, and formate dehydrogenase . The existence of sole DMFase indicating its substrate specificity controlled the preference of DMAc of strain DMFA1. By integrating multiple sequence alignment, homology modeling and molecular docking, the preference of the DMFase in strain DMFA1 towards DMAc are related to: 1) Mutations in key active site residues; 2) the absence of small subunit; and 3) no energy barrier for substrates entering the active site.

CAS / MDL: 67-56-1
研究领域: 环境微生物学 · 生物降解 · 生物化学
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RSC Advances · 2017 ·Vol. 7 ·期 24 ·14631-14639 · IF 3.108

Multicompartment-like aggregates formed by a redox-responsive surfactant encapsulated polyoxometalate in DMF/butanol mixed solvent

Na Li,Sijing Yi,Zhaohong Qian,Jiao Wang,Nana Lei,Xiao Chen

The unique and interesting aggregation behaviors of a novel surfactant-encapsulated complex (SEC), composed of a Keggin-type polyoxometalate (POM), phosphotungstic acid and a redox-responsive ferrocene-containing cationic surfactant, dimethyldioctadecylammonium bromide (BFDMA), have been investigated in N,N-dimethylformamide (DMF)/butanol mixed solvent. By carefully tuning the composition of the solvent, hollow spherical aggregates with multilayered shells were initially observed with a diameter of 55 ± 9 nm using transmission or scanning electron microscopes. Owing to the solvophobic effect and π–π stacking interaction between alkyl chains or ferrocene groups, these spherical aggregates were found to gradually fuse together into aggregates with flower-like and finally compartment-like morphologies with an average size of 120–150 nm. Based on X-ray diffraction measurements and the molecular configuration data of SEC, the multilayers in aggregates were composed of bilayers of SEC with the POM inside and three rearranged BFDMA molecules outside. The morphology of such aggregates was partially reversible under electrochemical modulation. Applying an anodic oxidation potential would induce the disassembling of compartment-like aggregates into irregular spheres with a size of about 200 nm, which could be turned back after applying a cathodic reduction potential. The obtained results here should shed light on the design of novel nanostructures from such inorganic/organic hybrid clusters.

研究领域: 材料科学 · 化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2025 · IF 2.2

Investigation of thermophysical properties and CO2 equilibrium solubility in nonaqueous mixtures of monoethanolamine (MEA) and N,N-dimethylformamide (DMF)

Lijiao Ma,Yudong Ding,Yi Zhang,Xun Zhu,Hong Wang,Min Cheng,Qiang Liao

To reduce CO 2 emissions and address issues with conventional amine-based aqueous absorbents, a mixed nonaqueous solution of monoethanolamine (MEA) and N , N -dimethylformamide (DMF) was proposed. The density, dynamic viscosity and refractive index of fresh MEA-DMF solutions (10-50 wt% MEA) and CO 2 -loaded solutions (0.10–0.51 mol CO 2 ·(mol MEA) −1 ) were measured across the temperature range of 298.15–333.15 K. The values for fresh solutions were correlated with concentration and temperature using the Jouyban-Acree model (JAM) and an exponential equation. Then the results after CO 2 absorption were derived from the CO 2 loading amount. Additionally, CO 2 absorption performance of MEA-DMF with various concentrations at 303.15–333.15 K and 9.64–134.52 kPa was assessed to determine gas-liquid equilibrium and develop semi-empirical correlations. Nuclear magnetic resonance (NMR) analysis confirmed that carbamate was the primary product formed after CO 2 absorption in the nonaqueous absorbent. These studies provide essential data for equipment design and absorbent optimization. MEA-DMF solutions demonstrate favorable viscosity and CO 2 absorption performance, supporting the potential use of nonaqueous absorbents in industrial CO 2 capture technologies.

CAS / MDL: 68-12-2
研究领域: 化学工程 · 环境科学 · 物理化学 · 材料科学
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Solar RRL · 2025 · IF 4.7

Vacuum-Assisted Perovskite Crystallization in NMP/DMF and DMSO/DMF Solvent for Large-Area Solar Modules

Zixiang Zhou,Suxia Liang,Jiahong Li,Kai Song,Xiaogeng Gu,Ting Yan,Yunlei Jiang,Tianyu Yu,Cang Liang,Renjie Hua,Lei Shi,Luping Lyu,You Song,Shifeng Deng,Wenzhen An,Yuan Dong

Vacuum-assisted crystallization is a promising strategy for large-area perovskite film formation, but the role of solvent environment in intermediate phase evolution under vacuum-assisted crystallization remains underexplored. In this work, two common mixed solvent systems—NMP/DMF and DMSO/DMF were systematically compared, aiming at investigating how their coordination characteristics affect film formation outcomes during vacuum-assisted crystallization. NMP/DMF results in a distinct intermediate phase and ultimately leads to perovskite films with uniform grains, smooth surface, lower defect densities, and enhanced optoelectronic properties compared to those obtained using DMSO/DMF. The optimized perovskite photovoltaic modules achieved a champion power conversion efficiency of 19.14% (active area: 96.5 cm 2 ). This study highlights the strong correlation between solvent coordination and crystallization behavior, providing useful insights for scalable production of high-performance perovskite modules via vacuum-assisted crystallization.

CAS / MDL: 67-68-5 872-50-4 68-12-2
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KEY ENGINEERING MATERIALS · 2015 · IF 0

Adsorption Kinetics of Methylene Blue on Synthesized DMF-MIL-101(Cr), a DMF-Functionalized Metal-Organic Framework

Xin Liu,Yan Ying Zhao

An N, N-dimethylformamide (DMF)-functionalized metal–organic framework, namely, DMF-MIL-101(Cr), was prepared and then used for the adsorptive removal of methylene blue (MB), a cationic dye, from aqueous solutions. MIL-101(Cr) was synthesized by the hydrothermal method. Next, by dipping the MIL-101(Cr) sample in DMF, DMF-MIL-101(Cr) was synthesized. The results of X-ray diffraction analysis, Fourier transform infrared spectroscopy, and thermogravimetric analysis confirmed that DMF and MIL-101 could be combined successfully. More importantly, the MB uptake capacity of DMF-MIL-101(Cr) was significantly higher than that of MIL-101(Cr). Unlike MIL-101(Cr), DMF-MIL-101(Cr) could adsorb the entire MB in a solution with a concentration of 10.92 mg/L, owing to the electrostatic interactions between DMF and the MB molecules. In 100 mL of a 10.92-mg/L MB solution, DMF-MIL-101(Cr) can reach a state of absorbance equilibrium within10 min. After that, the adsorption process exhibited the characteristics of a zero-order reaction. This result indicates that it may be possible to exploit different functionalization methods and improve the rate of adsorption of dyes onto metal–organic frameworks.

研究领域: 环境化学 · 材料科学 · 吸附技术 · 废水处理
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Solubility, thermodynamic modeling and Hansen solubility parameter of 5-norbornene-2,3-dicarboximide in three binary solvents (methanol, ethanol, ethyl acetate + DMF) from 278.15 K to 323.15 K

Yameng Wan,Haixia He,Zibo Huang,Pengshuai Zhang,Jiao Sha,Tao Li,Baozeng Ren

In this work, solubility of 5-norbornene-2,3-dicarboximide (NODI) in three binary solvents (DMF + methanol, ethanol, ethyl acetate) was experimentally investigated by using laser monitoring technique at (278.15 to 323.15) K under 0.1 MPa. Solubility data of NODI increased as the temperature increased while reduced with the decreasing mass fraction of DMF. Hansen solubility parameter was employed to reveal the solubility behavior of NODI. Experimental solubility data was correlated by five thermodynamic models including NRTL, Wilson, uniquac, Margules and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, Margules, and uniquac model were more suitable to correlate NODI solubility than others. Besides, thermodynamic properties of mixing process (Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were investigated based on solubility data and the Wilson equation. Mixing processes of NODI in three binary solvents were entropy-driven.

研究领域: 化学工程 · 物理化学 · 热力学
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AICHE JOURNAL · 2017 ·Vol. 64 ·期 6 ·2160-2167 · IF 2.836

Determination of crystalline thermodynamics and behavior of anthracene in different solvents

Cui-Ping Ye,Xiao-Xiao Ding,Wen-Ying Li,Hai Mu,Wei Wang,Jie Feng

To screen suitable solvents for anthracene crystallization, the solubilities of anthracene and metastable zone width were determined in four different solvents, N,N-dimethyl formamide (DMF), xylene, tetrachloroethylene, and diethylene glycol dimethyl ether from 30 to 80 °C at atmospheric pressure using a self-made crystallizer. The cooling modes, solvents, and the effects of carbazole on the solvent crystallization process of anthracene were also investigated. The composition of mother liquors and solid products were measured by gas chromatography; the solids were analyzed by scanning electron microscope, X-ray diffractometer, differential scanning calorimetry, granulometer, and fluorescence spectrometer. The results showed that a uniform anthracene crystal was obtained when using DMF under the forced circulation cooling mode. Solid solution of anthracene and carbazole was initially detected in solvent crystallization. The existence of carbazole in solution has an obvious effect on the crystal morphology of anthracene, to some extent, is beneficial to the crystal growth of anthracene. © 2018 American Institute of Chemical Engineers AIChE J , 64: 2160–2167, 2018

CAS / MDL: 120-12-7 86-74-8
研究领域: 化学工程 · 材料科学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Solubility and thermodynamic modeling of cis-5-norbornene-exo-2,3-dicarboxylic anhydride in three binary solvents (1,4-dioxane, DMF, NMP + ethanol) from 278.15 K to 323.15 K

Yameng Wan,Haixia He,Pengshuai Zhang,Rui Zhao,Jiao Sha,Tao Li,Baozeng Ren

In this work, solubility of cis-5-norbornene-exo-2,3-dicarboxylic anhydride (himic anhydride) in binary solvents of (1,4-dioxane, DMF, NMP + ethanol) was experimentally determined by the gravimetric method ranged from 278.15 K to 323.15 K under 0.1 MPa. It was found that solubility of himic anhydride increased with elevating temperature while decreased as the mass fraction of ethanol increased. Solubility order of himic anhydride in three binary solvents was interpreted by comparing the interaction energy ( E inter ) between solute and binary solvents based on density function theory (DFT). Experimental solubility in binary solvents was correlated by the Two-Suffix Margules, NRTL, Wilson, uniquac and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, NRTL, uniquac and Two-Suffix Margules model are suitable to correlate the experimental solubility. Moreover, thermodynamic properties of dissolution process (Δ dis G , Δ dis S , Δ dis H , Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were calculated by the Wilson equation. The dissolution process and mixing process of himic anhydride in selected binary solvents are entropy-positive.

研究领域: 化学工程 · 物理化学 · 热力学
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