JOURNAL OF MOLECULAR LIQUIDS
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2019
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IF 4.561
Yi Li,Songwei Zhang,Qi Ding,Baofeng Qin,Litian Hu
Ionic liquids (ILs) are extensively used in many fields owing to their attractive characteristics. Good structure designability provides ILs an opportunity to integrate multiple functions into their structures, which could promote their industrial applications as versatile materials. In this study, three 4, 6-dimethyl-2-mercaptopyrimidine (DMMP) based phosphonium ILs were firstly synthesized. The corrosion inhibition behaviors of these ILs for mild steel in 0.5 M H 2 SO 4 aqueous solutions were investigated by electrochemical tests. Results indicated that all of the three ILs exhibited surprising inhibition efficiencies as high as 99%, even at an ultralow concentration of 0.1 mM. The ILs' adsorption behavior on surface obeys Langmuir isotherm, indicating that the ILs inhibit corrosion of mild steel by monolayer adsorption on the mild steel surface. Moreover, due to the superior adsorption capacity on steel surface, DMMP based ILs are expected have great application potentials as high-performance lubricating materials. As expected, DMMP based ILs showed excellent lubrication performances both at 30 °C and 100 °C as compared to PAO and 1-butyl-3-methylimidazolium tetrafluoroborate (LB104). Surface analyses indicated that tribofilms consist of ILs adsorption layer and tribochemical products, such as FeS, Fe 2 O 3 and organic compounds containing C O bonds, are responsible for the predominant lubrication performances. Therefore, versatile ILs designed in this paper have gathered two significant abilities for industrial applications, which are high corrosion inhibiting properties and excellent lubrication performances. This work is believed to be instructive for designing multifunctional ILs and promoting the ILs' application in industry in the future.
研究领域:
材料科学
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化学工程
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DOI
高影响因子
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
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2023
·Vol. 170
·期 10
·101501
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IF 3.9
Jianghao Liu,Xinhuan Niu,Ni Zhan,Yida Zou,Han Yan,Minghui Qu,Fu Luo,Yunhui Shi,Jianwei Zhou
Cobalt has been determined as a suitable barrier layer material for integrated circuits as the feature size continuous reduction to 14 nm. To protect the copper and cobalt surfaces from corrosion and obtain high copper and cobalt removal rate selectivity during cobalt-based copper interconnects chemical mechanical polishing process, selecting appropriate inhibitor in slurry is critical. In this paper, the inhibition effect and mechanism of 2-mercaptopyrimidine on copper/cobalt surfaces are studied combined experiments and density functional theory calculation. Experiments results reveal that 2-MP could increases the selectivity to 110.4, forms dense passivation film on the copper and cobalt surface to inhibits corrosion with high efficiency of 98% and 92%, and obtain ideal surface quality. Calculation results prove that the N-p and S-p orbitals of inhibitors hybridize with copper-d and cobalt-d orbital to form chemical bonds, adsorbing on metals surface vertically and parallelly. The mixed adsorption modes lead to form complete and dense passivation film. Such study provides better perspective into comprehending the corrosion protection of metal surfaces at the atomic level and clarifies the inhibition mechanism at the interface of metal-organic compounds.
研究领域:
材料科学
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表面化学
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高影响因子
Surfaces and Interfaces
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2021
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IF 4.837
Jiadong Zang,Caiyun Zhang,Yue Qiang,Qi Liu,Yuemeng Fei,Ze Yu
Metal halide perovskite solar cells (PSCs) have made remarkable progress recently. However, the large number of defects in the polycrystalline perovskite film has an important impact on the carrier recombination and ion migration in the device. The non-radiative recombination is regarded as the main way of charge loss, which largely determines the performance of PSCs. Here, a small molecule, 2-mercaptopyrimidine (MPM), was selected as the surface passivator for MAPbI 3 perovskite films. It is revealed that both S and N atoms in MPM can interact with uncoordinated Pb 2+ to passivation the surface defects. As a result, the devices based on MPM passivation achieve a higher power conversion efficiency (PCE) of 19.71% than the control devices (17.85%) due to the reduced surface defect state density. Moreover, MPM-passivated PSCs also possess superior humidity stability, retaining 94% and 82% of the initial PCEs after 720 and 480 h aging in air with a relative humidity of 30% and 60%, respectively.
研究领域:
材料科学
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能源技术
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DOI
高影响因子
Journal of Water Process Engineering
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2022
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IF 7.34
Xu Chai,Huaqi Dong,Zenggao Zhang,Zhaoyang Qi,Jie Chen,Zhixian Huang,Changshen Ye,Ting Qiu
Due to natural and production activities, mercury contamination has become one of the major environmental problems in the world. Adsorption is one of the important means to solve this problem. However, most of the commercially available adsorbents exhibit relatively low adsorption capacity and slow kinetics. Therefore, a novel 4,6-diamino-2-mercaptopyrimidine-functionalised Zr-based metal-organic framework (UiO-66-DMP) was synthesised in this study. The UiO-66-DMP was characterised through X-ray diffraction, scanning electron microscopy, energy dispersive spectrometry , X-ray photoelectron spectroscopy, Fourier-transform infrared spectrometry, and thermogravimetric analysis . The potential of the UiO-66-DMP as a superior adsorbent for Hg(II) removal and the corresponding mechanisms were evaluated through batch experiments under different conditions and density functional theory calculations. Benefitting from its high specific surface area and multiple adsorption sites, the maximum Hg(II) adsorption capacity achieved in this study was 822.00 mg·g-1, which is the highest Hg(II) adsorption capacity reported to date. In addition, under the interference of Ca(II), Cd(II), Co(II), Mg(II), Mn(II), Ni(II), Cr(III), Cu(II), Zn(II) and other coexisting ions, the UiO-66-DMP could still maintain the high selective adsorption capacity for Hg(II). According to the characterization analysis and DFT calculation results, the adsorption of Hg(II) onto the UiO-66-DMP was dependent on electrostatic and covalent interactions between metal ions and abundant functional groups on the UiO-66-DMP surface.
研究领域:
环境科学
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材料科学
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化学工程
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高影响因子
LANGMUIR
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2025
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IF 3.9
Linghui Meng,Jie Jiang,Xuesong Peng,Lin Zhu,Ruopeng Li,Yaqiang Li,Maozhong An
Developing a cyanide-free gold electrodeposition system is significant for replacing the cyanide electroplating gold plating system, which is highly harmful to the environment and toxic to human health. In our study, a cyanide-free system for electrodepositing gold (Au) coatings was proposed with AuCl as the main salt and 5,5-dimethyl hydantoin (DMH) as the Au (I) complexing agent. Through theoretical calculations and electrochemical test screening, 4,6-dimethyl-2-mercaptopyrimidine (DMP) is suitable for DMH-based gold electrodeposition and was selected as an electroplating additive. The role of DMP in gold electrodeposition was further studied. In particular, the adsorption–coordination mechanism was proposed to elucidate the role of DMP, based on calculations of the Bader charge density difference for DMP adsorbed on the gold surface and the interaction between DMP and Au+. Electrochemical tests such as cyclic voltammetry and chronoamperometry were utilized to study the impact of varying DMP concentrations on gold electrodeposition behavior. Chronoamperometric analysis indicates that Au electrodeposition obeys a 3D diffusion-controlled progressive nucleation process, independent of DMP concentration and applied potential, while the presence of DMP markedly suppresses grain growth. The addition of DMP significantly improved the surface morphology and brightness of the gold coating, resulting in a smooth and dense layer with a golden-yellow appearance. XRD results showed that the addition of DMP reduced the grain size of the Au coating from 22.1 to 15.7 nm, with the gold coating primarily growing along the Au (111) plane. The XPS test results show that the purity of the gold plating layer is high, and there is no inclusion of additives in the coating.
研究领域:
电化学
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材料科学
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表面工程
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理论化学
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环境科学
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DOI
PubMed
高影响因子
RSC Advances
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2016
·Vol. 6
·期 18
·15210-15219
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IF 3.289
Zhi Cheng,Shi Mo,Jing Jia,Ji Feng,Hong Qun Luo,Nian Bing Li
The inhibition effect of 4,6-diamino-2-mercaptopyrimidine (DAMP) as a copper corrosion inhibitor in 3.5 wt% NaCl solution was investigated by weight loss, electrochemical impedance spectroscopy, and potentiodynamic polarization. The inhibition efficiency increased with increasing DAMP concentration in the range of 1.0 to 2.0 mM DAMP and decreased with increasing temperature. The obtained results showed that DAMP inhibited both the anodic and cathodic currents and the maximum inhibition efficiency reached 93.2% at 2.0 mM DAMP. The inhibition performance of DAMP was confirmed by SEM and EDS. Quantum chemical calculations revealed that the DAMP molecule was adsorbed on the copper surface in a paralleled way through S and N atoms and the pyrimidine ring. Adsorption of DAMP was found to obey the Langmuir adsorption isotherm.
研究领域:
腐蚀科学
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电化学
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材料科学
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量子化学
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高影响因子
FUEL PROCESSING TECHNOLOGY
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2022
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IF 8.129
Wei Ruan,Haoyun Liu,Hao Wu,Yuan Qi,Mengchang Zhou,Changsong Zhou,Zhen Zhang,Hongmin Yang
In this work, the Zr-based MOF was successfully fabricated with 4,6-Diamino-2-mercaptopyrimidine (DMP) and a novel adsorbent (Uio-DMP) was synthesized for the immobilization of Pb 2+ in aqueous medium . The morphological and structural characteristics of Uio-DMP were characterized by X-ray diffractometer (XRD), Fourier transform infrared (FT-IR), Field emission scanning electron microscopy (FE-SEM), Brunner Emmet Teller (BET), and X-ray photoelectron spectroscopy (XPS). The characterization results showed that the Uio-DMP maintained a pristine crystal structure and the sulfhydryl group was introduced to Zr-based MOF after chemical functionalization. The adsorption behavior of Uio-DMP for Pb 2+ was investigated in different conditions (solution pH, sorbent dose, Pb 2+ concentration, adsorption time, and co-existing ions). The experimental results indicated that the optimal pH was 6, the maximum adsorption capacity was 296.5 mg/g, and the Langmuir model well fitted the Pb 2+ removal process based on adsorption isotherm studies. The adsorption kinetic experiments revealed that the adsorption equilibrium could be achieved at 30 min and the adsorption process was consistent with the Pseudo-second-order model. The co-existing ions had a limited impact on Pb 2+ removal and the removal rate of 71.0% was maintained after five consecutive adsorption-desorption experiments. Furthermore, zeta potential and XPS analysis proved that the removal process of Pb 2+ over Uio-DMP was affected by electrostatic interaction , and nitrogen/sulfur atoms acting as the main adsorption sites. This study provides an insight into the removal of Pb 2+ in aqueous medium and the functionalization of adsorbents.
研究领域:
环境科学
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材料科学
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化学工程
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
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IF 8.1
Bingyan Han,Yajun Chen,Qingdong Liu,Yuncong Gao,Jiao Wang,Haiyan Liu,Gaohong He
Aggregation-induced emission enhancement is one of the main methods for designing copper clusters (CuNCs) with high fluorescence intensity. In this study, H 2 O can rapidly construct stable hydrogen bonds with 2-thiobarbituric acid ligands of CuNCs, leading to denser aggregation between CuNCs. This process can occur at a level of intensity visible to the naked eye and can be completed within 30 s. As a result, the fluorescence turns to yellow with emission wavelength at 573 nm from red with emission wavelength at 638 nm, and the quantum yield has been increased to 50.03 %. The noticeable “turn on” phenomenon can be utilized for detecting alcohol content in low-alcohol liquor quality control. Additionally, bright luminous make Y-CuNCs can be employed for accurate identification of human latent fingerprints (LFPs), which can accurately identify the third level structure of the LFPs.
研究领域:
化学
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材料科学
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分析化学
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DOI
高影响因子
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
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2025
·Vol. 131
·期 5
·1-11
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IF 2.8
Li Yingying,Tang Xingyue,Li Boyang,Luo Yani,Wang Yijing,Wang Xiaolian
Metal-organic frameworks (MOFs) have emerged as promising catalysts for the oxygen evolution reaction (OER) in water electrolysis. This study synthesizes a nickel-based MOF on a nickel foam substrate (NiMOF/NF) via a solvothermal method and fabricates NiMOF-FeOOH/NF composites through Fe electrodeposition. The NiMOF-FeOOH 600 /NF composite, prepared with a 600 s electrodeposition time, exhibits an overpotential of 320 mV at 20 mA·cm -2 and a Tafel slope of 126 mV·dec -1 . Compared to unmodified NiMOF/NF, the overpotential was reduced by 320 mV and the Tafel slope by 146 mV dec -1 . In addition, no significant performance degradation was observed during the 40 h stability test. Further results demonstrated that deposition of Fe ions significantly improved the intrinsic conductivity of NiMOF/NF, enabling more efficient charge transfer during the OER process. Additionally, the modified FeOOH surface morphology increased the number of accessible active sites and enhanced the exposure of catalytic centers. In summary, these structural and electronic modifications synergistically improve the overall catalytic performance and have guiding significance for the application of MOF to OER.
研究领域:
材料科学
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电化学
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催化剂研究
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2026
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IF 5.2
Jinping Tang,Fuqiang Qian,Yuhai Wang,Chunxu Wang,Yuan Chai,Dewen Kong,Jin Wang
By integrating the photonic nanojet effect of polystyrene microsphere (PS), the charge transfer capability of MXene nanosheets, and the electromagnetic field enhancement induced by Ag nanoparticles, the PS@MXene@Ag composite substrate exhibited outstanding SERS sensitivity. • The SERS performance of the PS@MXene@Ag substrate was evaluated using 2-mercaptopyridine as a probe molecule, achieving a detection limit as low as 1.24 × 10 −12 M, with the SERS performance factor (SPF) up to 5.0 × 10(Gueguen et al., 2000 [7] ) . In addition, the SERS substrate demonstrated satisfactory results in signal uniformity, batch-to-batch reproducibility, and long-term stability. • PS@MXene@Ag composite successfully detected thiram and methyl blue on practical sample surfaces (orange and fish), achieving satisfactory recovery rates. Surface-enhanced Raman scattering (SERS) spectroscopy has emerged as a powerful analytical technique for the sensitive detection of hazardous molecules, owing to its ultranarrow spectral linewidths and highly specific molecular fingerprinting capability. Herein, we designed a reliable SERS substrate consisting of polystyrene microspheres (PS), Ti 3 C 2 T x MXene nanosheets, and Ag nanoparticles (NPs) for the sensitive detection of various organic pollutants. By integrating the photonic nanojet effect of PS, the charge transfer capability of MXene nanosheets, and the electromagnetic field enhancement induced by Ag NPs, the PS@MXene@Ag composite substrate exhibited outstanding SERS sensitivity, along with excellent reproducibility and signal uniformity. As a result, the limit of detection (LOD) for 2-mercaptopyridine (2-Mpy) was as low as 1.24 × 10 −12 M, with the SERS performance factor (SPF) of up to 5.0 × 10 7 . Moreover, the SERS substrate maintained good stability after storage for four weeks. In addition, the PS@MXene@Ag composite was successfully applied to the detection of other organic pollutants, including thiram and methylene blue (MB). The calibration results revealed a good linear relationship between the logarithm of concentration and the corresponding SERS intensity, with correlation coefficients (R 2 ) of 0.99 and 0.98, respectively. The LODs for thiram and MB were calculated to be 1.96 × 10 −10 M and 2.33 × 10 −10 M, respectively, and satisfactory recovery rates were obtained in practical sample analyses (orange peel and fish skin). These results demonstrate that the fabricated PS@MXene@Ag SERS substrate has promising potential for the detection of organic molecular pollutants. Download: Download high-res image (129KB) Download: Download full-size image PS@MXene@Ag as a SERS-active substrate for the detection of organic pollutants.
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