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| 1 | The adsorption of acidic gaseous pollutants on metal and nonmetallic surface studied by first-principles calculation: A review显示文摘The acidic gases such as SO2,NOx,H2 S and CO2 are typical harmful pollutants and greenhouse gases in the atmosphere,which are also the main sources of PM2.5.The most widely used method of treating these gas molecules is to capture them with different adsorption materials,i.e.,metal and nonmetallic materials such as MnO2,MoS2 and carbon-based materials.And doping transition metal atoms in adsorption materials are beneficial to the gas adsorption process.The first-principles calculation is a powerful tool for studying the adsorption properties of contaminant molecules on different materials at the molecular and atomic levels to understand surface adsorption reactions,adsorption reactivity,and structureactivity relationships which can provide theoretical guidance for laboratory researches and industrial applications.This review introduces the adsorption models and surface properties of these gas molecules on metal and nonmetallic surfaces by first-principles calculation in recent years.The purpose of this review is to provide the theoretical guidance for experimental research and industrial application,and to inspire scientists to benefit from first-principles calculation for applying similar methods in future work. | Xue Ye Shenggui Ma Xia Jiang Zhishan Yang Wenju Jiang Hualin Wang | 2019 | Chinese Chemical Letters2019，30，12： | 2 |
| 2 | 3D-printed MoS_(2)/Ni electrodes with excellent electro-catalytic performance and long-term stability for dechlorination of florfenicol显示文摘Here,we report the production of 3D-printed MoS_(2)/Ni electrodes(3D-MoS_(2)/Ni)with longterm stability and excellent performance by the selective laser melting(SLM)technique.As a cathode,the obtained 3D-MoS_(2)/Ni could maintain a degradation rate above 94.0%for forfenicol(FLO)when repeatedly used 50 times in water.We also found that the removal rate of FLO by 3D-MoS_(2)/Ni was about 12 times higher than that of 3D-printed pure Ni(3D-Ni),attributed to the improved accessibility of H^(*).In addition,the electrochemical characterization results showed that the electrochemically active surface area of the 3D-MoS_(2)/Ni electrode is about 3-fold higher than that of the 3D-Ni electrode while the electrical resistance is 4 times lower.Based on tert-butanol suppression,electron paramagnetic resonance and triple quadrupole mass spectrometer experiments,a“dual path”mechanism and possible degradation pathway for the dechlorination of FLO by 3D-MoS_(2)/Ni were proposed.Furthermore,we also investigated the impacts of the cathode potential and the initial pH of the solution on the degradation of FLO.Overall,this study reveals that the SLM 3D printing technique is a promising approach for the rapid fabrication of high-stability metal electrodes,which could have broad application in the control of water contaminants in the environmental field. | Jianhui Xu Pengxu Wang Shenggui Chen Lei Li Dan Li Yunfei Zhang Qi Wu Jinhong Fan LumingMa | 2024 | Journal of Environmental Sciences2024，，3： | 1 |
| 3 | An effeient europium (Ⅲ)organic complex as red phosphor Applied in LED显示文摘 | Pei He Huihui Wang Shenggui Liu | 2009 | J Electrochem Soc2009，156，2： | 1 |
| 4 | Experimental investigation of the motion trajectory of solid particles inside the hydrocyclone by a Lagrange method 显示文摘 | Wang Zhibin Chu Liangyin Chen Wenmei Wang Shenggui | 2008 | Chemical Engineering Journal2008，138，： | 1 |
| 5 | Superconductivity in ThMo_2Si_2C with Mo_2C square net显示文摘We report the superconductivity of a new quaternary compound ThMo_(2)Si_(2)C, synthesized with the arc-melting technique. The compound crystallizes in a tetragonal CeCr_(2)Si_(2)C-type structure with cell parameters of a = 4.2296A and c = 5.3571 A. An interlayer Si–Si covalent bonding is suggested by the atomic distance. The electrical resistivity and magnetic susceptibility measurements indicate a Pauli-paramagnetic metal with dominant electron-electron scattering in the normal-state. Bulk superconductivity at 2.2 K is demonstrated with a dimensionless specific-heat jump of △C/γnT = 0.98. The superconducting parameters of the critical magnetic fields, coherence length, penetration depth, and superconducting energy gap are given. | ZiChen Liu BaiZhuo Li YuSen Xiao QingChen Duan YanWei Cui YuXue Mei Qian Tao ShuLi Wei ShuGang Tan Qiang Jing Qing Lu YuPing Sun YunYan Liu ShengGui Fu Hao Jiang Zhi Ren ZhuAn Xu Cao Wang GuangHan Cao | 2021 | Science China(Physics,Mechanics & Astronomy)2021，64，7： | 1 |
| 6 | Families of integral trees with diameters 4,6 and 8显示文摘 | Wang Ligong Li Xueliang Zhang Shenggui | 2004 | Discrete Appl Math2004，136，23： | 1 |
| 7 | Theoretical study of partial oxidation of ethylene by vanadium trioxide cluster cation显示文摘Density functional theory (DFT) study of reaction between vanadium trioxide cluster cation (VO3+) and ethylene (C2H4) to yield VO2+ + CH3CHO (acetaldehyde) and VO2CH2+ + HCHO (formaldehyde) is carried out. Structures of all reactants, products, intermediates, and transition state in the reaction have been optimized and characterized. The results show unexpected barriers in the reaction due to the existence of a η2-O2 moiety in the ground state structure of VO3+. The initial reaction steps combining ethylene adsorption, C=C activation and O-O cleavage are proposed as rate limiting processes. Comparison of reactions of VO3+ + C2H4 with VO3 + C2H4 and VO2+ + C2H4 in the previous studies is made in detail. The results of this work may shed light on the understanding of C=C bond cleavage in related heterogeneous catalysis. | WANG ZheChen DING XunLei MA YanPing CAO Hai WU XiaoNan ZHAO YanXia HE ShengGui | 2009 | Chinese Science Bulletin2009，54，16： | 0 |
| 8 | Lattice Effect on the Transport Properties in Double Doped La_(2/3)(Ca_(1-x)Sr_x)_(1/3)MnO_3 Films显示文摘The transport properties in the La2/3(Ca1-xSrx)1/3MnO3 (x=0, 1/3, 2/3) films prepared using the RF magnetronsputtering method were investigated. The effect of the Ca, Sr double-doping at the A position in the La2/3A1/3MnO3on the structure of the targets and transport of the films has been studied. With the increase of x, the structures of thetargets transform from the rhombohedral phase to the cubic phase; the metal-insulator phase transition temperature(TP) of the films increases; and the corresponding peak resistivity decreases. All the phenomena can be qualitativelyexplained by the lattice effect. | Kexin JIN Changle CHEN Shenggui ZHAO Yongcang WANG Zhoumo SONG Xiao YUAN | 2005 | Journal of Materials Science & Technology2005，21，6： | 0 |
| 9 | Development of MoS_(2)-stainless steel catalyst by 3D printing for efficient destruction of organics via peroxymonosulfate activation显示文摘Herein,a novel MoS_(2)-stainless steel composite material was first synthetized via a 3D printing method(3DP MoS_(2)-SS)for peroxymonosulfate(PMS)activation and organics degradation.Compared with MoS_(2)-SS powder/PMS system(0.37 g/(m^(2)/min)),4.3-fold higher k_(FLO)/S_(BET)value was obtained in 3DP MoS_(2)-SS/PMS system(1.60 g/(m^(2)/min),resulting from the superior utilization of active sites.We observed that 3DP MoS_(2)-SS significantly outperformed the 3DP SS due to the enhanced electron transfer rate and increased active sites.Moreover,Mo^(4+)facilitated the Fe^(2+)/Fe^(3+)cycle,resulting in the rapid degradation of florfenicol(FLO).Quenching experiments and electron paramagnetic resonance spectra indicated that·OH,SO_(4)·^(-),O_(2)·^(-)and^(1)O_(2)were involved in the degradation of FLO.The effect of influencing factors on the degradation of FLO were evaluated,and the optimized degradation efficiency of 98.69%was achieved at 1 mM PMS and pH of 3.0.Six degradation products were detected by UPLC/MS analyses and several possible degradation pathways were proposed to be the cleavage of C-N bonds,dechlorination,hydrolysis,defluorination and hydroxylation.In addition,3DP MoS_(2)-SS/PMS system also demonstrated superior degradation performance for 2-chlorophenol,acetaminophen,ibuprofen and carbamazepine.This study provided deep insights into the MoS_(2)-SS catalyst prepared by 3DP technology for PMS activation and FLO-polluted water treatment. | Yufeng Liu Jianhui Xu Xin Fu Pengxu Wang Dan Li Yunfei Zhang Shenggui Chen Chunhui Zhang Peng Liu | 2024 | Journal of Environmental Sciences2024，，1： | 0 |
| 10 | Laser-induced Voltage in La_(0.85)Sr_(0.015)MnO_3/Fe Heterostructure显示文摘在 Si (100 ) 底层上扔的 La_(0.85 )Sr_(0.015 ) MnO_3/Fe 异种结构被劈啪作响的磁控管准备。在在在在 77 K 的 current-in-plane 几何学 andcurrent-perpendicular-to-plane 几何学之间的电压信号的样品和差别的导致激光的电压被调查。这差别能被归因于不同运输机制。 | Kexin JIN Changle CHEN Shenggui ZHAO Yongcang WANG Zhoumo SONG Xiao YUAN | 2006 | Journal of Materials Science & Technology2006，22，4： | 0 |
| 11 | Effect of grain refinement on cutting force of difficult-to-cut metals in ultra-precision machining显示文摘The nickel-based superalloy Inconel 718 is treated with Coupled Ultrasonic and Electric Pulse Treatment(CUEPT),and the surface grain is refined from the average size of 9550.0 nm to287.9,216.3,150.5,126.3,25.8 nm by different effective treatment currents,respectively.The ultraprecision turning experiments are carried out on the processed workpiece after CUEPT.The experimental results show that the average cutting force increases with the decrease of surface grain size.Moreover,a mathematical model that can describe the relationship between grain size and cutting force is established,and the calculated results match the experimental results well.The calculated results also indicate that the variation of cutting force caused by the same variation of grain size decreases as the degree of grain refinement increases.Finally,the influence mechanism of grain refinement on cutting force is analyzed.The improvement of stability of grain boundaries and the increase of number of grain boundaries cause the increase of cutting force after grain refinement. | Renjie JI Qian ZHENG Yonghong LIU Hui JIN Fan ZHANG Shenggui LIU Baokun WANG Shuaichen LU Baoping CAI Xiaopeng LI | 2022 | Chinese Journal of Aeronautics2022，35，3： | 0 |
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