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Spin polarization strategy to deploy proton resource over atomic-level metal sites for highly selective CO electrolysis

《化学科学与工程前沿（英文）》 2022年 第16卷 第12期   页码 1772-1781 doi: 10.1007/s11705-022-2197-4

摘要： Unlocking of the extremely inert C=O bond during electrochemical CO2 reduction demands subtle regulation on a key “resource”, protons, necessary for intermediate conversion but also readily trapped in water splitting, which is still challenging for developing efficient single-atom catalysts limited by their structural simplicity usually incompetent to handle this task. Incorporation of extra functional units should be viable. Herein, a proton deployment strategy is demonstrated via “atomic and nanostructured iron (A/N-Fe) pairs”, comprising atomically dispersed iron active centers spin-polarized by nanostructured iron carbide ferromagnets, to boost the critical protonation steps. The as-designed catalyst displays a broad window (300 mV) for CO selectivity > 90% (98% maximum), even outperforming numerous cutting-edge M–N–C systems. The well-placed control of proton dynamics by A/N-Fe can promote *COOH/*CO formation and simultaneously suppress H2 evolution, benefiting from the magnetic-proximity-induced exchange splitting (spin polarization) that properly adjusts energy levels of the Fe sites’ d-shells, and further those of the adsorbed intermediates’ antibonding molecular orbitals.

关键词： CO2 electrolysis     single-atom catalysts     spin polarization     proton dynamics     in situ IR spectroscopy     kinetic isotope effect    

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Tracing the impact of stack configuration on interface resistances in reverse electrodialysis by in situelectrochemical impedance spectroscopy

《环境科学与工程前沿（英文）》 2022年 第16卷 第4期 doi: 10.1007/s11783-021-1480-9

摘要：

• RED performance and stack resistance were studied by EIS and LSV.

关键词： Reverse electrodialysis     Electrochemical impedance spectroscopy     Concentration polarization     Spacer shadow effect    

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Establishing two-stage interaction between fly ash and NaOH by X-ray and infrared analyses

Bhagwanjee JHA,Nevin KOSHY,Devendra Narain SINGH

《环境科学与工程前沿（英文）》 2015年 第9卷 第2期   页码 216-221 doi: 10.1007/s11783-014-0630-8

摘要： The interaction of the fly ash and NaOH, in an open reflux hydrothermal system at 100°C, has been explored by several researchers and formation of fly ash zeolites has been confirmed based on the X-ray diffraction analysis of the residues. However, this method does not reveal much about the characteristic transitions (viz. elemental, electro-negativity and cation exchange capacity) of the residues. In this situation, resorting to Fourier transform-infrared radiation (FT-IR) spectroscopy on the residues obtained from two-stage hydrothermal treatment process, described in this manuscript, appears to be a novel idea to establish transitions in chemical bonds (viz., -Si-OH-Al-, OH-Na, OH-Al-), crystallinity and cation exchange capacity of these residues. Based on extensive studies, it has been demonstrated that FT-IR spectroscopy is extremely useful for 1) detection of chemical bonds in the residues, 2) evaluation of zeolites in the residues and 3) also establishing the superiority of the two-stage interaction of the fly ash with NaOH for synthesizing better fly ash zeolites (viz., Na-P1 and Hydroxysodalte) as compared to those obtained from the conventional single-stage treatment of the fly ash.

关键词： hydrothermal treatment     alkali activation     fly ash zeolites     X-ray diffraction (XRD) and Fourier transform-infrared radiation (FT-IR) spectroscopy    

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区域水环境质量的区间可拓评价方法及应用

胡宝清

《中国工程科学》 2001年 第3卷 第6期   页码 53-56

摘要：

在区间与区间之距——IR距概念的基础上给出了相应的可拓评价方法——区间可拓评价方法，并在区域水环境质量评价中给出实例。

关键词： 区间距     区间关联函数     区间可拓评价    

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Development and application of ex-situ presulfurization technology for hydrotreating catalysts in China

Yulan GAO, Xiangchen FANG, Zhenmin CHENG

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 287-296 doi: 10.1007/s11705-010-0529-2

摘要： The development and application of ex-situ presulfurization (EPRES) technology for hydrotreating catalysts has been reviewed in the present article. The studies in laboratory scale and commercial practice indicated that the adoption of the EPRES catalyst in industrial application can significantly enhance the degree of presulfurization of metal oxide components, shorten the start-up period, and effectively reduce the environmental impact as well as the danger of start-up procedure in industrial hydrotreating unit. This catalyst has been proved to be versatile for different types of hydrogenation reactions. Different types of active site models are also discussed for better understanding the nature of presulfurized catalysts.

关键词： ex-situ presulfurization     in situ presulfurization     hydrotreating catalyst     sulfur utilization ratio    

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Factors influencing near infrared spectroscopy analysis of agro-products: a review

Xiao XU, Lijuan XIE, Yibin YING

《农业科学与工程前沿（英文）》 2019年 第6卷 第2期   页码 105-115 doi: 10.15302/J-FASE-2019255

摘要：

The near infrared (NIR) spectroscopy technique has wide applications in agriculture with the advantages of being nondestructive, sensitive, safe and rapid. However, there are still more than 40 error sources influencing the robustness and accuracy of its calibration and operation. Environmental, sample and instrument factors that influence the analysis are discussed in this review, including temperature, humidity and other factors that introduce uncertainty. Error sources from livestock products, fruit and vegetables, which are the most common objects in the field of NIR analysis, are also emphasized in the second part. In addition, studies utilizing different instruments, spectral pretreatments, variable selection methods, wavelength ranges, detection modes and calibration methods are tabulated to illustrate the complications they introduce and how they influence NIR analysis. It is suggested that large scale of data with abundant varieties can be used to build a more robust calibration model, in order to improve the robustness and accuracy of the NIR analytical model, and overcome problems caused by confining analysis to too many uniform samples.

关键词： agro-product     error source     influence factor     near infrared spectroscopy    

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Review: Tip-based vibrational spectroscopy for nanoscale analysis of emerging energy materials

Amun JARZEMBSKI, Cedric SHASKEY, Keunhan PARK

《能源前沿（英文）》 2018年 第12卷 第1期   页码 43-71 doi: 10.1007/s11708-018-0524-8

摘要： Vibrational spectroscopy is one of the key instrumentations that provide non-invasive investigation of structural and chemical composition for both organic and inorganic materials. However, diffraction of light fundamentally limits the spatial resolution of far-field vibrational spectroscopy to roughly half the wavelength. In this article, we thoroughly review the integration of atomic force microscopy (AFM) with vibrational spectroscopy to enable the nanoscale characterization of emerging energy materials, which has not been possible with far-field optical techniques. The discussed methods utilize the AFM tip as a nanoscopic tool to extract spatially resolved electronic or molecular vibrational resonance spectra of a sample illuminated by a visible or infrared (IR) light source. The absorption of light by electrons or individual functional groups within molecules leads to changes in the sample’s thermal response, optical scattering, and atomic force interactions, all of which can be readily probed by an AFM tip. For example, photothermal induced resonance (PTIR) spectroscopy methods measure a sample’s local thermal expansion or temperature rise. Therefore, they use the AFM tip as a thermal detector to directly relate absorbed IR light to the thermal response of a sample. Optical scattering methods based on scanning near-field optical microscopy (SNOM) correlate the spectrum of scattered near-field light with molecular vibrational modes. More recently, photo-induced force microscopy (PiFM) has been developed to measure the change of the optical force gradient due to the light absorption by molecular vibrational resonances using AFM’s superb sensitivity in detecting tip-sample force interactions. Such recent efforts successfully breech the diffraction limit of light to provide nanoscale spatial resolution of vibrational spectroscopy, which will become a critical technique for characterizing novel energy materials.

关键词： vibrational spectroscopy     atomic force microscopy     photo-thermal induced resonance     scanning near-field optical microscopy     tip-enhanced Raman spectroscopy     photo-induced force microscopy     molecular resonances     surface phonon polaritons     energy materials    

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Terahertz time-domain spectroscopy of high-pressure flames

Jason BASSI, Mark STRINGER, Bob MILES, Yang ZHANG

《能源前沿（英文）》 2009年 第3卷 第2期   页码 123-133 doi: 10.1007/s11708-009-0033-x

摘要： Laser spectroscopy in the visible and near infrared is widely used as a diagnostic tool for combustion devices, but this approach is difficult at high pressures within a sooty flame itself. High soot concentrations render flames opaque to visible light, but they remain transparent to far-infrared or terahertz (THz) radiation. The first far-infrared absorption spectra, to the best of our knowledge, of sooty, non-premixed, ethylene high-pressure flames covering the region of 0.2-2.5 THz is presented. A specially designed high-pressure burner which is optically accessible to THz radiation has been built allowing flame transmission measurements up to pressures of 1.6 MPa. Calculations of the theoretical combustion species absorption spectra in the 0.2-3 THz range have shown that almost all the observable features arise from H O. A few OH (1.84 and 2.51 THz), CH (2.58 THz), and NH (1.77 and 2.95 THz) absorption lines are also observable in principle. A large number of H O absorption lines are observed in the ground vibrational in a laminar non-premixed, sooty flame (ethylene) at pressures up to 1.6 MPa.

关键词： terahertz time-domain spectroscopy     high-pressure flames     H2O absorption lines    

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工程监理委托代理关系中激励约束与参与约束的研究

秦旋

《中国工程科学》 2007年 第9卷 第4期   页码 45-49

摘要：

基于委托－代理理论对工程监理委托－代理关系中的激励约束与参与约束进行若干拓展研究，与参 与约束（IR）相比，激励相容约束（IC）更为重要，

关键词： 工程监理     业主     工程师     委托代理     激励相容约束     参与约束    

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Modeling of oil near-infrared spectroscopy based on similarity and transfer learning algorithm

Yifei Wang, Kai Wang, Zhao Zhou, Wenli Du

《化学科学与工程前沿（英文）》 2019年 第13卷 第3期   页码 599-607 doi: 10.1007/s11705-019-1807-2

摘要： Near-infrared spectroscopy mainly reflects the frequency-doubled and total-frequency absorption information of hydrogen-containing groups (O‒H, C‒H, N‒H, S‒H) in organic molecules for near-infrared lights with different wavelengths, so it is applicable to testing of most raw materials and products in the field of petrochemicals. However, the modeling process needs to collect a large number of laboratory analysis data. There are many oil sources in China, and oil properties change frequently. Modeling of each raw material is not only unfeasible but also will affect its engineering application efficiency. In order to achieve rapid modeling of near-infrared spectroscopy and based on historical data of different crude oils under different detection conditions, this paper discusses about the feasibility of the application of transfer learning algorithm and makes it possible that transfer learning can assist in rapid modeling using certain historical data under similar distributions under a small quantity of new data. In consideration of the requirement of transfer learning for certain similarity of different datasets, a transfer learning method based on local similarity feature selection is proposed. The simulation verification of spectral data of 13 crude oils measured by three different probe detection methods is performed. The effectiveness and application scope of the transfer modeling method under different similarity conditions are analyzed.

关键词： near-infrared spectroscopy     transfer learning     similarity     modeling    

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用于CO甲烷化的Ni/CeO2催化剂还原过程重构行为调控研究 Article

曹昕宇, 浦天成, Bar Mosevitzky Lis, Israel E. Wachs, 彭冲, 朱明辉, 胡永康

《工程（英文）》 2022年 第14卷 第7期   页码 94-99 doi: 10.1016/j.eng.2021.08.023

摘要：

还原预处理是活化负载型金属催化剂的重要步骤，但很少受到关注。本研究发现负载型镍催化剂的重构过程对预处理条件非常敏感。与使用氢气的传统活化方式相比，用合成气活化催化剂可以产生具有多晶结构的负载型镍纳米颗粒，其中包含丰富的晶界。独特的活化方式使得催化剂上CO吸附得到增强，提高了CO甲烷化率。通过操纵活化条件来调整催化剂结构的策略也可以被用于指导其他负载型金属催化剂的理性设计。

关键词： 镍-氧化铈催化剂     催化剂活化     结晶性     甲烷化     原位谱学    

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用于设计量子点元胞自动机算术电路的可扩展 1 位全加器 Research Article

Hamideh KHAJEHNASIR-JAHROMI, Pooya TORKZADEH, Massoud DOUSTI

《信息与电子工程前沿（英文）》 2022年 第23卷 第8期   页码 1264-1276 doi: 10.1631/FITEE.2100287

摘要： 近年来，在纳米尺度上使用互补金属氧化物半导体（CMOS）技术设计逻辑电路面临着各种挑战。漏电流、短效应沟道和高能量耗散是一些亟待解决的问题。量子点元胞自动机（QCA）代表了未来可能替代CMOS的一种合适选择，因为与标准CMOS相比，它消耗的能量微不足道。设计算术电路关键是基于1位全加器的结构。低复杂度的全加器模块有利于开发各种复杂结构。本文介绍了基于单元交互的可扩展1位QCA全加器结构。我们提出的全加器包含QCA设计偏好，例如使用的单元数量少、延迟低和占用面积小。此外，所提结构已扩展到更大的电路，包括4位行波进位加法器（RCA）、4位行波借位减法器（RBS）、加/减电路和2位阵列乘法器。所有设计均使用 QCA Designer-E 2.2版软件进行仿真和验证。该工具可以估计能量消耗以及评估电路的性能。仿真结果表明，所提设计在复杂度、面积、延迟、成本和能量消耗方面都是有效的。

关键词： 量子点元胞自动机（QCA）；全加器；行波进位加法器（RCA）；加/减电路；乘数    

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Polyolefin-nanocomposites with special properties by in-situ polymerization

Walter Kaminsky

《化学科学与工程前沿（英文）》 2018年 第12卷 第3期   页码 555-563 doi: 10.1007/s11705-018-1715-x

摘要：

Exceptionally strong polyolefin nanocomposites are synthesized by in-situ polymerization using soluble metallocene/methylaluminoxane (MAO) as catalysts in a two-step process. First, the soluble metallocene/MAO or other single site catalysts are absorbed on the surface of the nanofillers. Then by addition of ethene or propene, a polyolefin film is formed, covering the nanoparticles, layered silicates, or fibers. The resulting polyethylene and polypropylene nanocomposites are characterized by better physical and chemical properties such as stiffness, gas barrier properties, degradation temperatures, and crystallization rates. They show better mechanical properties than materials produced by mechanical blending. The thickness of the polyolefin can be controlled by the pressure of ethene or propene and by the polymerization time. Carbon fibers and carbon nanotubes are covered with isotactic or syndiotactic polypropylene. Because of the hydrophobic character of the carbon surface, the polymer is drawn on the fiber. This leads to a reinforced combined polymer with special properties. The crystallization temperature is 10 °C higher and therefore the crystallization rate up to 20 times faster than that of pure syndiotactic polypropylene. The form stability increases by 100% if 3 wt-% of carbon nanotubes are incorporated.

关键词： polyolefin nanocomposites     metallocenes     methylaluminoxane    

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Time of flight improved thermally grown oxide thickness measurement with terahertz spectroscopy

《机械工程前沿（英文）》 2022年 第17卷 第4期 doi: 10.1007/s11465-022-0705-3

摘要： As a nondestructive testing technique, terahertz time-domain spectroscopy technology is commonly used to measure the thickness of ceramic coat in thermal barrier coatings (TBCs). However, the invisibility of ceramic/thermally grown oxide (TGO) reflective wave leads to the measurement failure of natural growth TGO whose thickness is below 10 μm in TBCs. To detect and monitor TGO in the emergence stage, a time of flight (TOF) improved TGO thickness measurement method is proposed. A simulative investigation on propagation characteristics of terahertz shows the linear relationship between TGO thickness and phase shift of feature wave. The accurate TOF increment could be acquired from wavelet soft threshold and cross-correlation function with negative effect reduction of environmental noise and system oscillation. Thus, the TGO thickness could be obtained efficiently from the TOF increment of the monitor area with different heating times. The averaged error of 1.61 μm in experimental results demonstrates the highly accurate and robust measurement of the proposed method, making it attractive for condition monitoring and life prediction of TBCs.

关键词： thermal barrier coatings     thermally grown oxide     terahertz spectroscopy     time of flight    

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Cystine-assisted accumulation of gold nanoparticles on ZnO to construct a sensitive surface-enhanced Raman spectroscopy

《化学科学与工程前沿（英文）》 2023年 第17卷 第1期   页码 15-23 doi: 10.1007/s11705-022-2177-8

摘要： Recently, various semiconductor/metal composites have been developed to fabricate surface-enhanced Raman spectroscopy substrates. However, low metal loading on semiconductors is still a challenge. In this study, cystine was introduced to increase the accumulation of gold nanoparticles on zinc oxide, owing to the biomineralization property of cystine. Morphological analysis revealed that the obtained ZnO/Au/cystine composite not only had a higher metal loading but also formed a porous structure, which is beneficial for Raman performance. Compared with ZnO/Au, the ZnO/Au/cystine substrate displayed a 40-fold enhancement in the Raman signal and a lower limit of detection (10–11 mol·L−1) in the detection of rhodamine 6G. Moreover, the substrate has favorable homogeneity and stability. Finally, ZnO/Au/cystine displayed excellent performance toward crystal violet and methylene blue in a test based on river water samples. This study provided a promising method to fabricate sensitive semiconductor/noble metal-based surface-enhanced Raman spectroscopy substrates for Raman detection.

关键词： biomineralization     cystine     semiconductor/metal composite     SERS detection     Raman detection    

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标题 作者 时间 类型 操作

Spin polarization strategy to deploy proton resource over atomic-level metal sites for highly selective CO electrolysis

期刊论文

Tracing the impact of stack configuration on interface resistances in reverse electrodialysis by in situelectrochemical impedance spectroscopy

期刊论文

Establishing two-stage interaction between fly ash and NaOH by X-ray and infrared analyses

Bhagwanjee JHA,Nevin KOSHY,Devendra Narain SINGH

期刊论文

区域水环境质量的区间可拓评价方法及应用

胡宝清

期刊论文

Development and application of ex-situ presulfurization technology for hydrotreating catalysts in China

Yulan GAO, Xiangchen FANG, Zhenmin CHENG

期刊论文

Factors influencing near infrared spectroscopy analysis of agro-products: a review

Xiao XU, Lijuan XIE, Yibin YING

期刊论文

Review: Tip-based vibrational spectroscopy for nanoscale analysis of emerging energy materials

Amun JARZEMBSKI, Cedric SHASKEY, Keunhan PARK

期刊论文

Terahertz time-domain spectroscopy of high-pressure flames

Jason BASSI, Mark STRINGER, Bob MILES, Yang ZHANG

期刊论文

工程监理委托代理关系中激励约束与参与约束的研究

秦旋

期刊论文

Modeling of oil near-infrared spectroscopy based on similarity and transfer learning algorithm

Yifei Wang, Kai Wang, Zhao Zhou, Wenli Du

期刊论文

用于CO甲烷化的Ni/CeO2催化剂还原过程重构行为调控研究

曹昕宇, 浦天成, Bar Mosevitzky Lis, Israel E. Wachs, 彭冲, 朱明辉, 胡永康

期刊论文

用于设计量子点元胞自动机算术电路的可扩展 1 位全加器

Hamideh KHAJEHNASIR-JAHROMI, Pooya TORKZADEH, Massoud DOUSTI

期刊论文

Polyolefin-nanocomposites with special properties by in-situ polymerization

Walter Kaminsky

期刊论文

Time of flight improved thermally grown oxide thickness measurement with terahertz spectroscopy

期刊论文

Cystine-assisted accumulation of gold nanoparticles on ZnO to construct a sensitive surface-enhanced Raman spectroscopy

期刊论文