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1. Single Carbon Dioxide Molecules on Surfaces Studied by Low-Temperature Scanning Tunneling Microscopy | |||
WANG Yawei, LI Na, WANG Yongfeng | |||
Chemistry 21 April 2017 | |||
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Abstract:Global environmental problems induced by the rapid consummation of fossil fuels have become more and more serious. In this context, the reduction and conversion of carbon dioxide (CO$_2$) has been intensively studied because CO$_2$ is a greenhouse gas which is responsible for the global warming. This review focuses on the low-temperature scanning tunneling microscopy investigations of single CO$_2$ molecules on surfaces. We divide the supported substrates into the following categories: metal surfaces, metal oxide surfaces, and surfaces decorated by metal-organic frameworks. The single molecule study of CO$_2$ molecules helps to understand the microscopic mechanism of reduction and conversion of CO$_2$ molecules. | |||
TO cite this article:WANG Yawei, LI Na, WANG Yongfeng. Single Carbon Dioxide Molecules on Surfaces Studied by Low-Temperature Scanning Tunneling Microscopy[OL].[21 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4726508 |
2. Electrochemical Decontamination of Platinum Nanocrystals and its Electrocatalytic Performances for Methanol | |||
LU Leilei,DU Baozhong,YANG Rong,LIU Yuyao,LI Yukang | |||
Chemistry 20 April 2017 | |||
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Abstract:This work focused on the decontamination of polyvinylpyrrolidone(PVP) on platinum by electrochemical treatment. Pt nanocrystals were synthesized by colloidal method using chloroplatinic acid as the metal precursor and PVP K30 as a stabilizer. Spherical, cubic, octahedral and cuboctahedral Pt nanocrystals were obtained by adding different concentrations of silver nitrate to the above colloidal solution. The morphology of Pt nanocrystals was characterized by transmission electron microscope (TEM). It was found that the as-prepared Pt nanocrystals were well dispersed with a narrow size distribution. Electrochemical decontamination was applied to the Pt nanocrystals by short pulse potential step before electrocatalytic performance measurements. Repeating potential steps were set up between high voltage and low voltage. As the potential step proceeding, Pt surface sites were exposed gradually, which could be confirmed from the more and more clear hydrogen and oxygen adsorption/desorption peaks of the cyclic voltammograms (CV). The electrocatalytic activity of the electrochemically cleaned Pt nanocrystals was characterized by CV and chronoamperometry measurements. It was found that cuboctahedral Pt nanocrystals showed the best catalytic activity for methanol electrooxidation. This study put forward a simply and effective electrochemical decontamination method of the Pt surfaces capped by PVP. | |||
TO cite this article:LU Leilei,DU Baozhong,YANG Rong, et al. Electrochemical Decontamination of Platinum Nanocrystals and its Electrocatalytic Performances for Methanol[OL].[20 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4727458 |
3. 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 |
4. Effect of photocatalysis on Fischer-Tropsch synthesis activity and selectivity of the TiO2 nanotube supported Co Catalyst | |||
WANG Limin,WANG Liqing,ZHANG Yichi,SU Haiquan | |||
Chemistry 21 December 2016 | |||
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Abstract:To explore a method with high activity and selectivity,is the key to improve Fischer-Tropsch synthesis(FTS) technology and the main focus in academic field. Herein,a photocatalytic route was employed into traditional thermochemical FTS,constituting a photothermocatalytic system.The 20%Co/TiO2 nanotube catalyst was prepared by the incipient wetness impregnation method, and applied to phtothermocatalytic process to investigate the role of illumination for the FTS reaction.The introduction of light dramatically improved CO conversion, from 9.18% to 63.92%.In addition,illumination gave rise to an increase in light paraffin selectivity.The present work demonstrates that photothermocatalysis could be a promising research direction on enhancing FTS catalytic performance and adjusting product distribution . | |||
TO cite this article:WANG Limin,WANG Liqing,ZHANG Yichi, et al. Effect of photocatalysis on Fischer-Tropsch synthesis activity and selectivity of the TiO2 nanotube supported Co Catalyst[OL].[21 December 2016] http://en.paper.edu.cn/en_releasepaper/content/4714367 |
5. Newborn 2D materials for flexible energy conversion and storage | |||
LIU Jinxin,CAO Hui,JIANG Bei,XUE Yinghui,FU Lei | |||
Chemistry 14 June 2016 | |||
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Abstract:Newborn two-dimensional materials (NB2DMs) beyond graphene such as transition metal dichalcogenides (TMDs) exhibited excellent optoelectronic and mechanical properties as well as high theoretical specific capacity, which make them become the promising building blocks of flexible energy devices related to energy conversion and storage. Compared to graphene with zero band gap or traditional friable materials such as Si, these NB2DMs are more suitable to construct flexible devices as active layers of optoelectronic devices or as active materials for batteries. The presented review focuses on the recent advances in bendable energy devices based on NB2DMs, including batteries, supercapacitors (SCs), solar cells, photodetectors and nanoerators (NGs). The NB2DMs pave a new way to construct next-generation flexible energy devices with improved performance and we believe that those devices will be seen in our daily life and change our lifestyle in the immediate future. | |||
TO cite this article:LIU Jinxin,CAO Hui,JIANG Bei, et al. Newborn 2D materials for flexible energy conversion and storage[OL].[14 June 2016] http://en.paper.edu.cn/en_releasepaper/content/4697002 |
6. Determination of trace amounts of Cu2+ based on phytic acid-polypyrrole nanocomposites by differential pulse anodic stripping voltammetry | |||
Wang Nan,Dai Hongxiu,Wang Donglei,Lin Meng,Ma Houyi | |||
Chemistry 07 June 2016 | |||
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Abstract:In this paper,This study reports a sensitive electro-analytical method for the determination of trace amounts of Cu2+ using a phytate functionalizedpolypyrrole nanocomposites modified glass carbon electrode.The phytic acid-polypyrrole (PA/PPy) nanocomposites were prepared by an electrostatic adsorption and ultrasonic mixing. The results showed that bothPPy and PA/PPy modi?ed glassy carbon electrodes have electrochemical responses towardCu2+.However, owing to the synergistic contribution betweenthe PPy and PA, the PA/PPymodi?edelectrode exhibited higher sensitivity than that of PPy modi?ed electrode.The PA/PPynanocomposites functionalized electrodes showed a good linear relationship with Cu2+ at concentration ranges of 10-60 μg L-1, andthe limit of detection(S/N = 3)was 1 μg L-1.In addition, the electrochemical sensor was appliedtoassay Cu2+in real water samples. | |||
TO cite this article:Wang Nan,Dai Hongxiu,Wang Donglei, et al. Determination of trace amounts of Cu2+ based on phytic acid-polypyrrole nanocomposites by differential pulse anodic stripping voltammetry[OL].[ 7 June 2016] http://en.paper.edu.cn/en_releasepaper/content/4696532 |
7. Electronic Excitation of Ru-N3 Dye Interfaced with TiO2Nanoparticles | |||
JU Ming-Gang, LIANG Wan-Zhen | |||
Chemistry 24 May 2016 | |||
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Abstract:Reviews: A step-by-step theoretical protocol based on the density functional theory (DFT) and time-dependent DFT (TD-DFT) have been performed to study a Ruthenium polypyridyl complexes named N3 sensitized TiO2 solar cell including dye excitations and electron injection. Hybrid DFT XC functional B3LYP and PBE0, and recently proposed long-range corrected XC functional Cam-B3LYP have been applied, which provide reliable interfacial distances and interaction energies, and predict a significant excited-state charge transfer from the donor to the acceptor. Our study reveals three binding structures of the sensitizer anchored on a TiO2 surface. For the different anchoring modes, the possibility of a favorable electron transfer from the excited dye to the semiconductor conduction band (CB) are suggested. The three possible pathways are from the different parts of the excited dye to nanoparticle (TiO2){38}, resulting in the different timescale of the electron injections. | |||
TO cite this article:JU Ming-Gang, LIANG Wan-Zhen. Electronic Excitation of Ru-N3 Dye Interfaced with TiO2Nanoparticles[OL].[24 May 2016] http://en.paper.edu.cn/en_releasepaper/content/4694658 |
8. Theoretical Investigations of 4-dimethylaminobenzonitrile (DMABN): Dual fluorescence and Resonance Raman spectras | |||
LIU Li-Qian, LIANG Wan-Zhen | |||
Chemistry 24 May 2016 | |||
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Abstract: 4-dimethylaminobenzonitrile (DMABN) has been intensively studied due to its solvent-dependent dual fluorescence and nonlinear optical properties. This work presents a systematically theoretical investigations on the electronic structure property, dual fluorescence mechanism and NRS and RRS spectra in gas phase and methanol solvent. The density functional theory or time-dependent DFT (TDDFT) coupled with polarizable continuum model (PCM) is adopted to describe the molecule in methanol solution. It is concluded that the solvent and hydrogen bond effects reduce the energy gap of locally excited (LE) and charge transfer (CT) states; The fluorescence mechanism of DMABN in gas phase and methanol solvent is different in gas phase, the single normal fluorescence is chiefly emitted from the LE state through the internal conversion from CT to LE state. In methanol solvent, the normal fluorescence may be emitted from the LE state and the redshifted fluorescence comes from the CT state. It is confirmed that the intramolecular charge transfer (ICT) reaction from the LE state to CT state leads to the dual fluorescence in polar solvent. To further validate our conclusion, NRS and RRS calculated with the vertical gradient (VG) approximation which nicely yields the positions and relative magnitude order of band intensities compared with the experiment. With the inclusion of the strong vibration coupling of the LE and CT states, and the Herzberg-Teller (HT) vibronic coupling effect, the calculated spectra agree well with the experimental spectra.. | |||
TO cite this article:LIU Li-Qian, LIANG Wan-Zhen. Theoretical Investigations of 4-dimethylaminobenzonitrile (DMABN): Dual fluorescence and Resonance Raman spectras[OL].[24 May 2016] http://en.paper.edu.cn/en_releasepaper/content/4694655 |
9. The structures of XmSin by Wade's (2n +2) rules | |||
Gao Aimei | |||
Chemistry 19 May 2016 | |||
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Abstract:The structures and stabilities of XSin-1- and X2Sin-2 (X = P, As) clusters have been investigated at the B3LYP level of theory, incorporating the 6-311+G* basis set. The results indicated that the ground state structures of PSin-1-/AsSin-1-/As2Sin-2 (isolobal to Sin2- and BnHn2-) could be obtained by the wade’s (2n+2) rule. Based on our computation study, the applicability of the design principle, wade’s (2n+2) rule, was further confirmed by exploring the lower-energy isomers of small P2Sin-2 (n = 5-9) clusters. The Wade’s (2n+2) rule should be very promising for predicting and rationalizing the stable structures of heteroatom-doped silicon clusters. | |||
TO cite this article:Gao Aimei. The structures of XmSin by Wade's (2n +2) rules[OL].[19 May 2016] http://en.paper.edu.cn/en_releasepaper/content/4690635 |
10. 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 |
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