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	1. Influence of Preparation Condition on the Performance of Ni-based Catalysts for the Glycerol Steam Reforming
	XIE Shuang,Zhang Xianghua,Tu Qiang,Shi Biao,Cui Yuehua,Chen Changguo
	Chemistry 11 May 2018
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	Abstract:The effect of preparation condition on the performance of Ni-based catalysts was investigated for the glycerol steam reforming. The La0.7Ce0.3NiO3 mixed oxides were synthesized using different solution concentrations and calcination temperatures by co-precipitation method. BET, ICP, XRD, TPR, FE-SEM, CO2-TPD, TGA and Raman spectroscopy were used to characterize the catalysts. Including La2NiO4 phase at lowest solution concentration, catalyst precursor included LaNiO3 phase instead of La2NiO4 at other solution concentrations. At low calcination temperature of 700 C, it was found that smaller particle size of CeO2 incorporated more lanthanum, higher surface basicity and La2O2CO3 phase could effectively inhibit and eliminate coking leading to the better performance of catalyst.
	TO cite this article:XIE Shuang,Zhang Xianghua,Tu Qiang, et al. Influence of Preparation Condition on the Performance of Ni-based Catalysts for the Glycerol Steam Reforming[OL].[11 May 2018] http://en.paper.edu.cn/en_releasepaper/content/4745028


	2. Study on Synthesis and Electrochemical Performance of PMo-PDDA-GO Composite
	Ding Chao ,Gu Dawei,Lu Yi ,Xu Tianye ,Sun Hongshun,Li Jishu, Wang Lei,Shen Linjiang
	Chemistry 28 March 2017
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	Abstract:A series of composites containing polyoxometalate (PMo), poly (diallyldimethylammonium chloride) (PDDA), and graphene oxide (GO) with different oxidation degrees were prepared in a two-step self-assembly process. The resulting polyoxometalate-poly (diallyldimethylammonium chloride)-graphene oxide (PPGx, x = 1 to 5) composites and their precursors (PDDA-GOx, x = 1 to 5) were analyzed with AFM, XRD, and FTIR spectroscopy. The self-assembly process was schematically summarized. The interspace distance between GO sheets in PPGx increased when the oxidation degree of GO increased. This increase in interspace distance was accompanied by a rapid decrease in the electrical conductivity of PPGx. At a sufficient high oxidation degree (x > 3), PDDA was completely inserted into the interspace of the laminated structure of the GO sheets in PPGx. The experimental results indicated that PDDA acted as a bridge, increasing electrostatic interaction between PMo anions and the GO sheets and causing many PMo anions to become anchored on the GO sheets. The electrochemical performances of the PPGx composites were greatly enhanced by the immobilization of PMo anions on GO sheets via PDDA, resulting in a much larger specific capacitance and a remarkably enhanced cycling stabilityIn this paper.
	TO cite this article:Ding Chao ,Gu Dawei,Lu Yi , et al. Study on Synthesis and Electrochemical Performance of PMo-PDDA-GO Composite[OL].[28 March 2017] http://en.paper.edu.cn/en_releasepaper/content/4723025

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	3. Study on Corrosion mechanism of copper and inhibitive properties of Domperidone on copper corrosion in different concentration of hydrochloric acid
	Zheng Sisi,Xiang Bin,Chai Yuqing,Chen Shijin,Xu Zhongcheng
	Chemistry 25 April 2016
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	Abstract:In this paper, the corrosion behavior of copper in HCl solution was investigated by surface analysis, weight loss and electrochemical measurements. Results show that corrosion products changed from 0.001 to 1 M HCl solution. The primary corrosion product is Cu2O in 0.001-0.01 M HCl solution, however, Cu2+ and a small amount of CuCl in 0.1-1 M HCl solution. It indicates that the corrosion mechanism of copper in different concentration of HCl is different. Domperidone was tested as a corrosion inhibitor for copper in different concentration of HCl solution using weight loss test, open circuit potentials (OCP), potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The experimental results revealed that corrosion rate of copper increased with the increment of HCl concentration from 0.001 to 1 M whether domperidone was added or not, and domperidone was a cathodic inhibitor in HCl solution, with a maximum achievable inhibition efficiency of 98.5% in 0.01 M HCl tested by EIS.
	TO cite this article:Zheng Sisi,Xiang Bin,Chai Yuqing, et al. Study on Corrosion mechanism of copper and inhibitive properties of Domperidone on copper corrosion in different concentration of hydrochloric acid[OL].[25 April 2016] http://en.paper.edu.cn/en_releasepaper/content/4685229


	4. Analytical expressions for interaction between two palnar and sperical surface for 2-1type asymmetric electrolytes at positive surface potential
	LIU Guozhi
	Chemistry 15 March 2016
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	Abstract:In this paper, we suggest an analytical solution to Poisson-Boltzmann equation for the calculation of potential distributions between two identical plate colloidal particles immersed in a 2:1 type electrolyte solution with constant high or medium surface potential. Our expression fits well to the exact values of the potential between two parallel plates. Numerical results indicate that this analytical solution provides accurate description for the dimensionless distance ≤ 3. The suggested solution can be successfully applied in calculating the potential for identical plates with high or medium surface potentials. A simple analysis expression for the energy of interactions between two identical plates with constantly high or medium surface potential is given. The solutions in analytical and numerical forms become indistinguishable when , and , respectively. When , , the approximate solution is in close agreement with the numerical solution. By use of accurate analytical expression for the corresponding interaction energy between two parallel similar plates obtained presently, a simple analysis expression is given for calculating the energy of interactions between two identical spherical colloidal particles in a 2:1 type electrolyte solution with the help of Derjaguin's approximation.
	TO cite this article:LIU Guozhi. Analytical expressions for interaction between two palnar and sperical surface for 2-1type asymmetric electrolytes at positive surface potential[OL].[15 March 2016] http://en.paper.edu.cn/en_releasepaper/content/4680941


	5. Confined Space Synthesis of Mesoporous Silica Nanoparticles with a Three Dimensionally Ordered Close-packing Structure
	WANG Jing,CHEN Huiyong
	Chemistry 25 December 2015
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	Abstract:Mesoporous silica nanoparticles with a three dimensionally ordered close-packing structure (3DOc-p MSNs) were confined synthesis through steam-assisted crystallization treatment. With perfect replication from the three dimensionally ordered mesoporous carbon template, the obtained 3DOc-p MSNs presented a unique assembly structure of colloidal crystal composed of uniform mesoporous silica spherical particles with a controllable particle size ranged from 10 to 160 nm and various mesopore morphologies of hollow, multicellar, disordered wormlike, and ordered structure with the increasing of the confined space. Moreover, sonication induced fragmentation of 10, 20, and 40 nm 3DOc-p MSNs resulted in a clear suspension of highly monodispersed mesoporous silica nanoparticles with the corresponding particle size and mesopore structure.
	TO cite this article:WANG Jing,CHEN Huiyong. Confined Space Synthesis of Mesoporous Silica Nanoparticles with a Three Dimensionally Ordered Close-packing Structure[J].


	6. Mechanistic insight into the water photooxidation on pure and sulfur-doped g-C3N4 photocatalysts from DFT calculations with dispersion corrections
	Sen Lin,Xinxin Ye,Jing Huang,Xiaomei Gao
	Chemistry 11 June 2015
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	Abstract:In this work, first-principle methods are employed to build thermodynamic models for both the pure and sulfur atom modified g-C3N4 photocatalysts. Three possible mechanisms of oxygen evolution reaction (OER) following four one-electron pathway were investigated. The hydroxyl species as a key intermediate is found to strongly interact with the catalyst, which is distinct from the previous observation. The most likely pathway is via H2O → OH → O → OOH → O2, in which the first removal of proton, the rate-determining step, can not become surmountable at room temperature until an overpotential of 0.88 V (2.11 V vs SHE) is presented, in accord with the experimental observation that water photooxidaton is difficult to occur without any modification. On the other hand, the sulfur doping significantly reduces the overpotential , consistent with the experimental finding that the water oxidation reaction could be achieved at a moderate rate with sulfur-modified g-C3N4. Our theoretical results provide useful insights for designing better visible-light-driven anode to achieve high OER activity on graphitic carbon nitride based photocatalysts.
	TO cite this article:Sen Lin,Xinxin Ye,Jing Huang, et al. Mechanistic insight into the water photooxidation on pure and sulfur-doped g-C3N4 photocatalysts from DFT calculations with dispersion corrections[OL].[11 June 2015] http://en.paper.edu.cn/en_releasepaper/content/4646999


	7. Theoretical study of CO oxidation on the cationic, neutral, and anionic AuM dimers (M = Pd and Ag)
	CHEN Xuan,LU Ruifeng,KAN Erjun,LIU Yuzhen,XIAO Chuanyun,DENG Kaiming
	Chemistry 28 February 2014
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	Abstract:The CO and O2 adsorption as well as CO oxidation on the cationic, neutral, and anionic AuM dimers (M = Pd and Ag) are studied by carrying out density functional calculations. Our results show that CO and O2 could be more stable on AuPd dimers than on AuAg dimers with corresponding charge state. The reaction is explored along two possible pathways: one involves CO attacking the initial complexes of AuM dimers and O2 in path-1, and the other is related to O2 interacting with the complexes of AuM dimers and CO in path-2. The results show that the reactions of CO oxidation on AuPd- and AuPd prefer path-1, while AuPd+ mediated reaction proceeds along path-2. For AuAg dimers, the two pathways are both viable for AuAg- mediated reactions, while the AuAg and AuAg+ mediated reactions prefer path-2. In addition, the energy barriers of CO oxidation on AuAg- and AuAg+ are lower than that on cationic, neutral, and anionic AuPd dimers. So, both the impurity atom and the charge state have substantial effects on both the catalytic activity and the mechanism of CO oxidation on AuM dimers. Finally, AuAg- may be the most active species due to the lowest barrier involved in the reaction.
	TO cite this article:CHEN Xuan,LU Ruifeng,KAN Erjun, et al. Theoretical study of CO oxidation on the cationic, neutral, and anionic AuM dimers (M = Pd and Ag)[OL].[28 February 2014] http://en.paper.edu.cn/en_releasepaper/content/4587737


	8. Comparative study of bimetallic Pt-Sn catalysts supported on different supports for propane dehydrogenation
	ZHANG Yiwei,ZHOU Yuming,SHI Junjun
	Chemistry 28 April 2013
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	Abstract:The bimetallic PtSn catalysts supported on different supports (ZSM-5, γ-Al2O3, mesoporous alumina, SBA-15) were prepared and several techniques were employed to study the influence of different supports on the catalytic structure and reaction performances. According to the results of XRD, textual properties and acid measurements for the as-prepared catalysts, the selected support is the main factor to determine the porous character and the acidic properties of the corresponding catalyst. Moreover, the dispersion of metallic particles and the coking behavior seem to be obviously different on different supports. Compared with the other samples, the mesoporous alumina supported catalyst shows the most uniform and narrow distribution of metallic particles. Over this sample, the suitable acid content and the regular pore size distribution may account for the more reactive of the deposited carbon. It is also found that the use of different supports has an obvious influence on the reduction behavior of tin species. In our experiments, the use of mesoporous alumina support results in the strong interaction between Pt and Sn oxides, which is favorable for the formation of main active sites for the reaction.
	TO cite this article:ZHANG Yiwei,ZHOU Yuming,SHI Junjun. Comparative study of bimetallic Pt-Sn catalysts supported on different supports for propane dehydrogenation[OL].[28 April 2013] http://en.paper.edu.cn/en_releasepaper/content/4540696


	9. Effect of Drying Time on the Antimony Doped Tin Dioxide Coated Titanium Electrode
	WANG Yun-Hai,ZHOU Zhe,LI Guo,CHEN Qing-Yun
	Chemistry 06 January 2013
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	Abstract:The antimony doped tin dioxide coated titanium electrodes were prepared by dip-coating pyrolysis method with different drying time. The effect of drying time on the electrode activity, morphology, crystallinity and composition were discussed. The results indicated that electrode prepared by drying 10 minutes had higher activity towards phenol degradation than those prepared by drying 0 or 30 minutes. The relation between the activity and oxygen vacancies concentration was discussed. The TG-DTA analysis was used to monitor the reactions occurred during the electrode preparation. The results showed that there were three endothermic or exothermal peaks and the possible reactions were discussed.
	TO cite this article:WANG Yun-Hai,ZHOU Zhe,LI Guo, et al. Effect of Drying Time on the Antimony Doped Tin Dioxide Coated Titanium Electrode[OL].[ 6 January 2013] http://en.paper.edu.cn/en_releasepaper/content/4500284


	10. The Use of Fluorinated Hydrocarbons as Reference Standards in 19F NMR Calculation
	Yang Miyi,Li Songqing,Gao Haixiang,Zhou Wenfeng
	Chemistry 27 December 2012
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	Abstract:A new method to improve the precision of fluorine nuclear magnetic resonance (NMR) calculations of reference standards was studied using different quantum chemistry methods and basis sets on a large number of compounds, which are widely used and possess well-known chemical shifts. After comparing the calculated data and experimental results, we found that perfluoroethane and 4-fluorostyrene are suitable reference standards for fluorine atoms bonded to sp3 and sp-sp2 carbons, respectively. In our final experiments, we used the PBEL/6-311++ (3df, 2pd)//B3LYP/6-31G (d, p) level of theory and the above two compounds as reference standards for the final optimized method. This novel method creates new paradigms for NMR shift calculations and has increased the calculation precision and accuracy.
	TO cite this article:Yang Miyi,Li Songqing,Gao Haixiang, et al. The Use of Fluorinated Hydrocarbons as Reference Standards in 19F NMR Calculation[OL].[27 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4508294

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