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Conversion of phenol to cyclohexane in the aqueous phase over Ni/zeolite bi-functional catalysts

Jimei Zhang, Fuping Tian, Junwen Chen, Yanchun Shi, Hongbin Cao, Pengge Ning, Shanshan Sun, Yongbing Xie

《化学科学与工程前沿（英文）》 2021年 第15卷 第2期   页码 288-298 doi: 10.1007/s11705-020-1932-y

摘要： A series of Ni/HZSM-5 and Ni/HIM-5 bi-functional catalysts were synthesized and applied to the aqueous-phase hydrodeoxygenation (HDO) of phenol. The Ni dispersibility and particle sizes were shown to be directly related to the porosity and crystal sizes of the parent zeolites, which further influenced the catalytic performances. The large pores and small crystal sizes of the parent zeolites were beneficial for dispersing Ni and forming small Ni particles, and the corresponding Ni/zeolite catalyst exhibited a higher phenol conversion and selectivity towards hydrocarbons. Importantly, the Ni/HIM-5 bi-functional catalyst exhibited a high activity (98.3%) and high selectivity for hydrocarbons (98.8%) when heated at 220°C for 1 h and is thus a new potential catalyst for the HDO of phenolics to form hydrocarbons in the aqueous phase.

关键词： aqueous-phase hydrodeoxygenation     phenol     hydrocarbons     Ni/HIM-5     bi-functional catalyst    

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Selective conversion of cellulose to hexitols over bi-functional Ru-supported sulfated zirconia and silica-zirconia

Zhiqiang Song,Hua Wang,Yufei Niu,Xiao Liu,Jinyu Han

《化学科学与工程前沿（英文）》 2015年 第9卷 第4期   页码 461-466 doi: 10.1007/s11705-015-1543-1

摘要： We report a process of selective conversion of microcrystalline cellulose to hexitols over bi-functional Ru-supported sulfated zirconia and silica-zirconia catalysts. A 58.1% yield of hexitols and a 71.0% conversion of cellulose were achieved over Ru/SZSi(100:15)-773 catalyst at 443 K. The as-synthesized catalysts were characterized by X-ray diffraction (XRD), BET, thermogravimetric analysis and pyridine adsorption Fourier transform infrared spectroscopy (FTIR). XRD results indicated that the sulfated catalysts were pure tetragonal phase of ZrO when calcined at 773 K. Monoclinic zirconia appeared at the calcination temperature of 873 K, and the content of monoclinic phase increased with the elevating temperature. Compared with sulfated zirconia catalyst, sulfated silica-zirconia catalysts possessed a higher ratio of Brønsted to Lewis on the surface of catalysts, as shown from pyridine adsorption FTIR results. The reaction results indicated that the tetragonal zirconia, which is necessary for the formation of superacidity, was the active phase to cellulose conversion. The higher amounts of Brønsted acid sites can remarkably accelerate the cellulose depolymerization and promote side reactions that convert C5–C6 alcohols into the unknown soluble degradation products.

关键词： hexitols     cellulose     hydrogenation     sulfated zirconia     ruthenium    

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The catalytic effect of both oxygen-bearing functional group and ash in carbonaceous catalyst on CH 4

Weidong ZHANG, Yongfa ZHANG,

《化学科学与工程前沿（英文）》 2010年 第4卷 第2期   页码 147-152 doi: 10.1007/s11705-009-0242-1

摘要： A kind of new catalyst—carbonaceous catalyst—for CH-CO reformation has been developed in our laboratory. The effect of both oxygen-bearing functional group such as phenolic hydroxyl, carbonyl, carboxyl, and lactonic, and ash such as FeO, NaCO, and KCO in the carbonaceous catalyst on the CH-CO reforming has been investigated with a fixed-bed reactor. It has been found that the carbonaceous catalyst is an efficient catalyst on CO-CH reforming. With the decrease of oxygen-bearing functional group, the catalytic activity of carbonaceous catalyst decreases quickly. The oxygen-bearing functional groups play a significant role in the carbonaceous-catalyzed CO-CH reforming; the ash components in carbonaceous catalyst also have an important influence on the CO-CH reforming. FeO, NaCO, and KCO in the ash can catalyze the CO-CH reforming reaction; CaO has little effect on CO-CH reforming reaction. CaO can catalyze the gasification between carbonaceous catalyst and CO; AlO and MgO inhibit the CO-CH reforming.

关键词： oxygen-bearing functional     carboxyl     phenolic hydroxyl     CH-CO reformation     CO-CH reforming    

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Piezocatalytic performance of FeO−BiMoO catalyst for dye degradation

《化学科学与工程前沿（英文）》 2023年 第17卷 第6期   页码 716-725 doi: 10.1007/s11705-022-2265-9

摘要： A Fe2O3−Bi2MoO6 heterojunction was synthesized via a hydrothermal method. Scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray, powder X-ray diffraction, Fourier transform infrared spectroscopy and ultra-violet−visible near-infrared spectrometry were performed to measure the structures, morphologies and optical properties of the as-prepared samples. The various factors that affected the piezocatalytic property of composite catalyst were studied. The highest rhodamine B degradation rate of 96.6% was attained on the 3% Fe2O3−Bi2MoO6 composite catalyst under 60 min of ultrasonic vibration. The good piezocatalytic activity was ascribed to the formation of a hierarchical flower-shaped microsphere structure and the heterostructure between Fe2O3 and Bi2MoO6, which effectively separated the ultrasound-induced electron–hole pairs and suppressed their recombination. Furthermore, a potential piezoelectric catalytic dye degradation mechanism of the Fe2O3−Bi2MoO6 catalyst was proposed based on the band potential and quenching effect of radical scavengers. The results demonstrated the potential of using Fe2O3−Bi2MoO6 nanocomposites in piezocatalytic applications.

关键词： piezocatalysis     Fe2O3−Bi2MoO6     dye decomposition     ultrasonic vibration    

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A Pt-Bi bimetallic nanoparticle catalyst for direct electro-oxidation of formic acid in fuel cells

Shu-Hong LI, Yue ZHAO, Jian CHU, Wen-Wei LI, Han-Qing YU, Gang LIU, Yang-Chao TIAN

《环境科学与工程前沿（英文）》 2013年 第7卷 第3期   页码 388-394 doi: 10.1007/s11783-012-0475-y

摘要： Direct formic acid fuel cells are a promising portable power-generating device, and the development of efficient anodic catalysts is essential for such a fuel cell. In this work Pt-Bi nanoparticles supported on micro-fabricated gold wire array substrate were synthesized using an electrochemical deposition method for formic acid oxidation in fuel cells. The surface morphology and element components of the Pt-Bi/Au nanoparticles were characterized, and the catalytic activities of the three Pt-Bi/Au nanoparticle electrodes with different Pt/Bi ratios for formic acid oxidation were evaluated. It was found that Pt Bi /Au had a much higher catalytic activity than Pt Bi /Au and Pt Bi /Au, and Pt Bi /Au exhibited a current density of 2.7 mA·cm , which was 27-times greater than that of Pt/Au. The electro-catalytic activity of the Pt-Bi/Au electrode for formic acid oxidation increased with the increasing Bi content, suggesting that it would be possible to achieve an efficient formic acid oxidation on the low Pt-loading. Therefore, the Pt-Bi/Au electrode offers a promising catalyst with a high activity for direct oxidation of formic acid in fuel cells.

关键词： catalyst     electrochemical deposition     formic acid oxidation     fuel cell     gold wire array     microfabrication    

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Probing the catalytic activity of M-N

Fan Ge, Qingan Qiao, Xin Chen, You Wu

《化学科学与工程前沿（英文）》 2021年 第15卷 第5期   页码 1206-1216 doi: 10.1007/s11705-020-2017-7

摘要： In this work, the detailed oxygen reduction reaction (ORR) catalytic performance of M-N O (M= Fe, Co, and Ni; = 1–4) has been explored via the detailed density functional theory method. The results suggest that the formation energy of M-N O shows a good linear relationship with the number of doped O atoms. The adsorption manner of O on M-N O changed from end-on ( = 1 and 2) to side-on ( = 3 and 4), and the adsorption strength gradually increased. Based on the results for binding strength of ORR intermediates and the Gibbs free energy of ORR steps on the studied catalysts, we screened out two highly active ORR catalysts, namely Co-N O and Ni-N O , which possess very small overpotentials of 0.27 and 0.32 V, respectively. Such activities are higher than the precious Pt catalyst. Electronic structure analysis reveals one of the reasons for the higher activity of Co-N O and Ni-N O is that they have small energy gaps and moderate highest occupied molecular orbital energy levels. Furthermore, the results of the density of states reveal that the O doping can improve the electronic structure of the original catalyst to tune the adsorption of the ORR intermediates.

关键词： M-N-C catalyst     oxygen doping     oxygen reduction reaction     catalytic activity     density functional theory    

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Development and applications of functional gene microarrays in the analysis of the functional diversity

Zhili HE, Joy D. VAN NOSTRAND, Ye DENG, Jizhong ZHOU

《环境科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 1-20 doi: 10.1007/s11783-011-0301-y

摘要： Functional gene arrays (FGAs) are a special type of microarrays containing probes for key genes involved in microbial functional processes, such as biogeochemical cycling of carbon, nitrogen, sulfur, phosphorus, and metals, biodegradation of environmental contaminants, energy processing, and stress responses. GeoChips are considered as the most comprehensive FGAs. Experimentally established probe design criteria and a computational pipeline integrating sequence retrieval, probe design and verification, array construction, data analysis, and automatic update are used to develop the GeoChip technology. GeoChip has been systematically evaluated and demonstrated to be a powerful tool for rapid, specific, sensitive, and quantitative analysis of microbial communities in a high-throughput manner. Several generations of GeoChip have been developed and applied to investigate the functional diversity, composition, structure, function, and dynamics of a variety of microbial communities from different habitats, such as water, soil, marine, bioreactor, human microbiome, and extreme ecosystems. GeoChip is able to address fundamental questions related to global change, bioenergy, bioremediation, agricultural operation, land use, human health, environmental restoration, and ecological theories and to link the microbial community structure to environmental factors and ecosystem functioning.

关键词： functional gene arrays (FGAs)     GeoChip     microbial communities     functional diversity/composition/structure     environmental factor     ecosystem functioning    

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Modeling nanostructured catalyst layer in PEMFC and catalyst utilization

Jiejing ZHANG, Pengzhen CAO, Li XU, Yuxin WANG

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 297-302 doi: 10.1007/s11705-011-1201-1

摘要： A lattice model of the nanoscaled catalyst layer structure in proton exchange membrane fuel cells (PEMFC) was established by Monte Carlo method. The model takes into account all the four components in a typical PEMFC catalyst layer: platinum (Pt), carbon, ionomer and pore. The elemental voxels in the lattice were set fine enough so that each average sized Pt particulate in Pt/C catalyst can be represented. Catalyst utilization in the modeled catalyst layer was calculated by counting up the number of facets of Pt voxels where “three phase contact” are met. The effects of some factors, including porosity, ionomer content, Pt/C particle size and Pt weight percentage in the Pt/C catalyst, on catalyst utilization were investigated and discussed.

关键词： catalyst layer     PEM fuel cell     lattice model     Monte Carlo method     catalyst utilization    

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Topology optimization of piezoelectric bi-material actuators with velocity feedback control

Mariana MORETTI, Emílio C. N. SILVA

《机械工程前沿（英文）》 2019年 第14卷 第2期   页码 190-200 doi: 10.1007/s11465-019-0537-y

摘要： In recent years, the new technologies and discoveries on manufacturing materials have encouraged researchers to investigate the appearance of material properties that are not naturally available. Materials featuring a specific stiffness, or structures that combine non-structural and structural functions are applied in the aerospace, electronics and medical industry fields. Particularly, structures designed for dynamic actuation with reduced vibration response are the focus of this work. The bi-material and multifunctional concepts are considered for the design of a controlled piezoelectric actuator with vibration suppression by means of the topology optimization method (TOM). The bi-material piezoelectric actuator (BPEA) has its metallic host layer designed by the TOM, which defines the structural function, and the electric function is given by two piezo-ceramic layers that act as a sensor and an actuator coupled with a constant gain active velocity feedback control (AVFC). The AVFC, provided by the piezoelectric layers, affects the structural damping of the system through the velocity state variables readings in time domain. The dynamic equation analyzed throughout the optimization procedure is fully elaborated and implemented. The dynamic response for the rectangular four-noded FE analysis is obtained by the Newmark’s time-integration method, which is applied to the physical and the adjoint systems, given that the adjoint formulation is needed for the sensitivity analysis. A gradient-based optimization method is applied to minimize the displacement energy output measured at a predefined degree-of-freedom of the BPEA when a transient mechanical load is applied. Results are obtained for different control gain values to evaluate their influence on the final topology.

关键词： topology optimization method     bi-material piezoactuator     active velocity feedback control     time-domain transient analysis     host structure design     vibration suppression    

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Fluorescent probes and functional materials for biomedical applications

《化学科学与工程前沿（英文）》 2022年 第16卷 第10期   页码 1425-1437 doi: 10.1007/s11705-022-2163-1

摘要： Due to their simplicity in preparation, sensitivity and selectivity, fluorescent probes have become the analytical tool of choice in a wide range of research and industrial fields, facilitating the rapid detection of chemical substances of interest as well as the study of important physiological and pathological processes at the cellular level. In addition, many long-wavelength fluorescent probes developed have also proven applicable for in vivo biomedical applications including fluorescence-guided disease diagnosis and theranostics (e.g., fluorogenic prodrugs). Impressive progresses have been made in the development of sensing agents and materials for the detection of ions, organic small molecules, and biomacromolecules including enzymes, DNAs/RNAs, lipids, and carbohydrates that play crucial roles in biological and disease-relevant events. Here, we highlight examples of fluorescent probes and functional materials for biological applications selected from the special issues “Fluorescent Probes” and “Molecular Sensors and Logic Gates” recently published in this journal, offering insights into the future development of powerful fluorescence-based chemical tools for basic biological studies and clinical translation.

关键词： fluorescent probes     imaging     cell     biomedicine     biomolecules    

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Bi-modes alternation stepping ultrasonic motors

JIN Jiamei, ZHAO Chunsheng

《机械工程前沿（英文）》 2008年 第3卷 第1期   页码 101-105 doi: 10.1007/s11465-008-0018-1

摘要： Based on the principle of alternative operation of two bending vibration modes in an annular stator, this paper presents a standing-wave stepping ultrasonic motor characterized by no accumulative errors driven by an open-loop control circuitry. The driving forces are generated from the motions of projections on the stator in two modes. The positioning of the motor is achieved by the cooperation between the stator projections and rotor teeth, and the number of the rotors determines the stepping angle of the motor. Two-phase sinusoidal signals corresponding to the two modal frequencies drive the motor bi-direction stepping rotation via a switch unit. The prototype runs steadily without miss-step on trial. The single-step angle displacement of the motor is 2.5°.

关键词： miss-step     bi-direction     Two-phase sinusoidal     positioning     accumulative    

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Acoustic characteristics of bi-directional turbines for thermoacoustic generators

Dongdong LIU, Yanyan CHEN, Wei DAI, Ercang LUO

《能源前沿（英文）》 2022年 第16卷 第6期   页码 1027-1036 doi: 10.1007/s11708-020-0702-3

摘要： Bi-directional turbines combined with rotary motors may be a feasible option for developing high power thermoacoustic generators with low cost. A general expression for the acoustic characteristics of the bi-directional turbine was proposed based on theoretical derivation, which was validated by computational fluid dynamics modeling of an impulse turbine with fixed guide vanes. The structure of the turbine was optimized primarily using steady flow with an efficiency of near 70% (the shaft power divided by the total energy consumed by the turbine). The turbine in the oscillating flow was treated in a lumped-parameter model to extract the acoustic impedance characteristics from the simulation results. The key acoustic impedance characteristic of the turbine was the resistance and inertance due to complex flow condition in the turbine, whereas the capacitance was treated as an adiabatic case because of the large-scale flow channel relative to the heat penetration depth. Correlations for the impedance were obtained from both theoretical predictions and numerical fittings. The good fit of the correlations shows that these characteristics are valid for describing the bi-directional turbine, providing the basis for optimization of the coupling between the thermoacoustic engine and the turbine using quasi-one-dimensional theory in the frequency domain.

关键词： thermoacoustic power generator     acoustic characteristics     bi-directional impulse turbine     energy conversion    

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Oxidant or catalyst for oxidation?

Jianzhi Huang, Huichun Zhang

《环境科学与工程前沿（英文）》 2019年 第13卷 第5期 doi: 10.1007/s11783-019-1158-8

摘要： Manganese oxides (MnOx) have been demonstrated to be effective materials to activate Oxone (i.e., PMS) to degrade various contaminants. However, the contribution of direct oxidation by MnOx to the total contaminant degradation under acidic conditions was often neglected in the published work, which has resulted in different and even conflicting interpretations of the reaction mechanisms. Here, the role of MnOx (as both oxidants and catalysts) in the activation of Oxone was briefly discussed. The findings offered new insights into the reaction mechanisms in PMS-MnOx and provided a more accurate approach to examine contaminant degradation for water/wastewater treatment.

关键词： Peroxymonosulfate     Manganese oxides     Catalyst     Oxidant    

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Cu-doped Bi/Bi2WO6 catalysts for efficient N2 fixation by photocatalysis

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1412-1422 doi: 10.1007/s11705-023-2312-1

摘要： In this paper, Cu-doped Bi2WO6 was synthesized via a solvothermal method and applied it in photocatalytic N2 immobilization. Characterization results showed the presence of a small amount of metallic Bi in the photocatalyst, indicating that the synthesized photocatalyst is actually Bi/Cu-Bi2WO6 composite. The doped Cu had a valence state of +2 and most likely substituted the position of Bi3+. The introduced Cu did not affect the metallic Bi content, but mainly influenced the energy band structure of Bi2WO6. The band gap was slightly narrowed, the conduction band was elevated, and the work function was reduced. The reduced work function improved the transfer and separation of charge carriers, which mainly caused the increased photoactivity. The optimized NH3 generation rates of Bi/Cu-Bi2WO6 reached 624 and 243 μmol·L–1·g–1·h–1 under simulated solar and visible light, and these values were approximately 2.8 and 5.9 times higher those of Bi/Bi2WO6, respectively. This research provides a method for improving the photocatalytic N2 fixation and may provide more information on the design and preparation of heteroatom-doped semiconductor photocatalysts for N2-to-NH3 conversion.

关键词： Bi2WO6     Cu doping     work function     photocatalytic N2 fixation     charge separation    

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Modeling the impact of uncertainty in emissions trading markets with bankable permits

Yongliang ZHANG, Bing ZHANG, Jun BI, Pan HE

《环境科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 231-241 doi: 10.1007/s11783-012-0431-x

摘要： The various forms of uncertainty that firms may face in bankable emission permit trading markets will affect firms’ decision making as well as their market performance. This research explores the effect of increased uncertainty over future input costs and output prices on the temporal distribution of emission. In a dynamic programming setting, the permit price is a convex function of stochastic prices of coal and electricity. Increased uncertainty about future market conditions increases the expected permit price and causes a risk neutral firm to reduce ex ante emissions in order to smooth out marginal abatement costs over time. Finally, safety valves, both low-side and high-side, are suggested to reduce the impact of uncertainty in bankable emission trading markets.

关键词： uncertainty     bankable     emission trading     market performance    

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标题 作者 时间 类型 操作

Conversion of phenol to cyclohexane in the aqueous phase over Ni/zeolite bi-functional catalysts

Jimei Zhang, Fuping Tian, Junwen Chen, Yanchun Shi, Hongbin Cao, Pengge Ning, Shanshan Sun, Yongbing Xie

期刊论文

Selective conversion of cellulose to hexitols over bi-functional Ru-supported sulfated zirconia and silica-zirconia

Zhiqiang Song,Hua Wang,Yufei Niu,Xiao Liu,Jinyu Han

期刊论文

The catalytic effect of both oxygen-bearing functional group and ash in carbonaceous catalyst on CH 4

Weidong ZHANG, Yongfa ZHANG,

期刊论文

Piezocatalytic performance of FeO−BiMoO catalyst for dye degradation

期刊论文

A Pt-Bi bimetallic nanoparticle catalyst for direct electro-oxidation of formic acid in fuel cells

Shu-Hong LI, Yue ZHAO, Jian CHU, Wen-Wei LI, Han-Qing YU, Gang LIU, Yang-Chao TIAN

期刊论文

Probing the catalytic activity of M-N

Fan Ge, Qingan Qiao, Xin Chen, You Wu

期刊论文

Development and applications of functional gene microarrays in the analysis of the functional diversity

Zhili HE, Joy D. VAN NOSTRAND, Ye DENG, Jizhong ZHOU

期刊论文

Modeling nanostructured catalyst layer in PEMFC and catalyst utilization

Jiejing ZHANG, Pengzhen CAO, Li XU, Yuxin WANG

期刊论文

Topology optimization of piezoelectric bi-material actuators with velocity feedback control

Mariana MORETTI, Emílio C. N. SILVA

期刊论文

Fluorescent probes and functional materials for biomedical applications

期刊论文

Bi-modes alternation stepping ultrasonic motors

JIN Jiamei, ZHAO Chunsheng

期刊论文

Acoustic characteristics of bi-directional turbines for thermoacoustic generators

Dongdong LIU, Yanyan CHEN, Wei DAI, Ercang LUO

期刊论文

Oxidant or catalyst for oxidation?

Jianzhi Huang, Huichun Zhang

期刊论文

Cu-doped Bi/Bi2WO6 catalysts for efficient N2 fixation by photocatalysis

期刊论文

Modeling the impact of uncertainty in emissions trading markets with bankable permits

Yongliang ZHANG, Bing ZHANG, Jun BI, Pan HE

期刊论文