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Science China Chemistry 2013年第7期56卷 992-996页

作者： LI JunTao SU Hang HUANG Ling SUN ShiGang School of Energy research Xiamen University State Key Laboratory of physical Chemistry of solid Surfaces Department of Chemistry College of Chemistry and Chemical Engineering Xiamen University

Graphite thin film anodes with a high IR reflectivity have been prepared by a spin coating method. Both ex situ and in situ mi- croscope FTIR spectroscopy （MFFIRS） in a reflection configuration were employed to investigate interfacial processes of the graphite thin film anodes in lithium-ion batteries. A solid electrolyte interphase layer （SEI layer） was formed on the cycled graphite thin film anode. Ex situ MFTIRS revealed that the main components of the SEI layer on cycled graphite film anodes in 1 tool L 1 LiPF6/ethylene carbonate ＋ dimethyl carbonate （1：1） are alkyl lithium carbonates （ROCOzLi）. The desolvation process on graphite anodes during the initial intercalation of lithium ion with graphite was also observed and analyzed by in situ MFTIRS.

关键词： graphite anode interfaciai process FTIR spectroscopy lithium-ion battery

Confined Mie Plasmons in Monolayer Hexagonal-Close-Packed Metallic Nanoshells

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Chinese Physics Letters 2012年第9期29卷 170-173页

作者： CHEN Jing DONG Wen WANG Qiu-Gu TANG Chao-Jun CHEN Zhuo WANG Zhen-Lin Department of Physics and National Laboratory of solid State Microstructures Nanjing UniversityNanjing 210093 School of physical Science and Technology Soochow UniversitySuzhou 215006

Using a double templating method by electroless deposition within a templating organic porous mold,we fabricate a monolayer of hexagonal-close-packed metallic nanoshells,each with a small *** transmission spectra of the metallic nanoshell arrays are measured,which show transmission resonances at specific wavelengths whose positions are observed to be independent of the incident angle as well as light *** interestingly,the resonance wavelengths of Mie plasmon modes are also independent of the surrounding *** numerical simulations confirm these transmission resonances and reveal that they are attributed to the excitations of highly localized dipolar,quadrupolar and hexapolar Mie plasmon modes,which are highly confined within metallic nanoshells.

关键词： shells metallic hexagonal

A new algorithm for inactive orbital optimization in valence bond theory

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Science China Chemistry 2009年第11期52卷 1879-1884页

作者： CHEN ZhenHua ZHANG QianEr WU Wei State Key Laboratory of physical Chemistry of solid Surfaces and Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

This paper presents an efficient algorithm for energy gradients in valence bond self-consistent field(VBSCF) method with non-orthogonal *** frozen core approximation method is extended to the case of non-orthogonal *** expressions for the total energy and its gradients are presented by introducing auxiliary orbitals,where inactive orbitals are orthogonal,while active orbitals are non-orthogonal themselves but orthogonal to inactive *** is shown that our new algorithm has a low scaling of(Na+1)m4,where Na and m are the numbers of the active orbitals and basis functions,respectively,and is more efficient than the existing VBSCF algorithms.

关键词： valence bond theory non-orthogonal orbitals gradient

Synthesis and High Electrocatalytic Performance of Hexagram Shaped Gold Particles Having an Open Surface Structure with Kinks

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Nano research 2011年第6期4卷 612-622页

作者： Qingning Jiang Zhiyuan Jiang Lei Zhang Haixin Lin Ning Yang Huan Li Deyu Liu Zhaoxiong Xie Zhongqun Tian State Key Laboratory for physical Chemistry of solid Surfaces Department of Chemistry College of Chemistry and Chemical EngineeringXiamen University Xiamen 361005 China

Hexagram shaped gold particles and their analogues enclosed by high index facets with kinks have been successfully synthesized by reducing HAuCl4 with ascorbic acid （AA） in the presence of poly（diallyldimethylammonium chloride） at room temperature. By using electron microscopy, the surfaces of the hexagram shaped Au particle were found to be {541} planes, which contain high-density steps and kinks. In addition, it was found that hexagonal shield-like and other kind of particles present in the product were analogues of the hexagram shaped Au particles structure, in that they had the same surface structure. In order to confirm the surface structure of all the prepared particles, surface structure sensitive underpotential deposition of Pb was carried out, and the cyclic voltammetric profile was in accordance with the proposed {541} surface. Finally, structure-property relationships of the Au hexagrams were experimentally analyzed by employing the electrocatalytic oxidation of AA as a probe reaction. The electrocatalytic reactions of gold cubes with low-index {100} facets and gold trioctahedra with {221} facets were studied as references. The experimental results showed that the hexagram shaped Au particles and their analogues with exposed {541} facets have the highest catalytic activity among the three kinds of gold particles, owing to the high density of kink atoms. This study should motivate us to further explore methods for the preparation of other well-defined polyhedral metal nanocrystals enclosed by high index surfaces.

关键词： Hexagram shaped gold particles surface structure high index facets with kinks structure-property relationship electrocatalysis crystal growth

Bi-based Nanowire and Nanojunction Arrays:Fabrication and physical Properties

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Journal of Materials Science & Technology 2007年第2期23卷 166-181页

作者： Liang LI Guanghai LI Xiaosheng FANG Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and Nanotechnology Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 China Nanoscale Materials Center National Institute for Materials Science （NIMS）Namiki 1-1 Tsukuba Ibaraki 305-0044Japan

This article reviews the recent developments in the fabrication and properties of one-dimensional （1D） Bi-based nanostructures, including Bi, Sb, BixSb1-x and Bi2Te3 nanowire arrays, and Bi-Bi and Bi-Sb nanojunction arrays. In this article, we present an efiective method to fabricate Bi nanowire arrays with difierent diameters in anodic alumina membrane （AAM） with a single pore size by the pulsed electrodeposition. The fabrication of the high-filling and ordered Bi1-xSbx and Bi2Te3 single crystalline nanowire arrays, the Bi nanowire metalsemiconductor homojunction and Bi-Sb nanowire metal-semiconductor heterojunction arrays by the pulsed electrodeposition are reported. The factors controlling the composition, diameter, growth rate and orientation of the nanowires are analyzed, and the growth mechanism of the nanowire and nanojunction arrays are discussed together with the study of the electrical and thermal properties of Bi-based nanowires and ***, this review is concluded with some perspectives on the research directions and focuses in the Bi-based nanomaterials fields.

关键词： Bi One-dimensional Nanowire array Thermoelectric Electrodeposition

Interfacial Activation of Catalytically Inert Au(6.7 nm)-Fe_(3)O_(4)Dumbbell Nanoparticles for CO Oxidation

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Nano research 2009年第12期2卷 975-983页

作者： Binghui Wu Hai Zhang Cheng Chen Shuichao Lin Nanfeng Zheng State Key Laboratory for physical Chemistry of solid Surfaces and Department of Chemistry College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

Au nanoparticles epitaxially grown on Fe_(3)O_(4)in Au(6.7 nm)-Fe_(3)O_(4)dumbbell nanoparticles exhibit excellent stability against sintering,but display negligible catalytic activity in CO *** from various supported Au(6.7 nm)-Fe_(3)O_(4)catalysts prepared by the colloidal deposition method,we have unambiguously identifi ed the significance of the Au-TiO_(2)interface in CO oxidation,without any possible size effect of *** situ thermal decomposition of TiO_(2)precursors on Au-Fe_(3)O_(4)was found to be an effective way to increase the Au-TiO_(2)interface and thereby optimize the catalytic performance of TiO_(2)-supported Au-Fe_(3)O_(4)dumbbell *** reducing the size of Fe_(3)O_(4)from 15.2 to 4.9 nm,the Au-TiO_(2)contact was further increased so that the resulting TiO_(2)-supported Au(6.7 nm)-Fe_(3)O_(4)(4.9 nm)dumbbell particles become highly efficient catalysts for CO oxidation at room temperature.

关键词： Gold nanocatalysts support effect CO oxidation Au-Fe_(3)O_(4) dumbbell nanoparticles

Prediction of Heat of Fusion of Rare Earth Compounds from Binary Phase Diagrams

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Journal of Rare Earths 1992年第1期10卷 15-20页

作者：孙贵如李文超王俭 General research institute for Non-ferrous Metals Beijing 100088China Department of physical Chemistry University of Science and Technology Beijing

Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutectic and involving a compound phase diagram and so *** these formulae heats of fusion of some rare earth ox- ides have been predicted.

关键词： Rare earth compound Binary phase diagram Heat of fusion

Studies of surface processes of electrocatalytic reduction of CO_(2) on Pt(210), Pt(310) and Pt(510)

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Science China Chemistry 2007年第5期50卷 593-598页

作者： FAN ChunJie FAN YouJun ZHEN ChunHua ZHENG QingWei SUN ShiGang State Key Laboratory of physical Chemistry of solid Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

Surface processes of CO_(2)reduction on Pt(210),Pt(310),and Pt(510)electrodes were studied by cyclic *** surface structures of these platinum single crystal electrodes were obtained by various treatment *** experimental results illustrated that the electrocatalytic activity of Pt single crystal electrodes towards CO_(2)reduction is decreased in an order of Pt(210)>Pt(310)>Pt(510),i.e.,with the decrease of(110)step density on well-defined *** the surfaces were reconstructed due to oxygen adsorption,the catalytic activity of all the three electrodes has been enhanced to a cer-tain *** the activity order remains unchanged,the electrocatalytic activity has been en-hanced more significantly as the density of(110)step sites is more intensive on the Pt single crystal *** has revealed that the more open the surface structure is,the more active the Pt single crystal electrode will be,and the easier for the electrode to be transformed into a surface structure that exhib-its higher activity under external ***,the relatively ordered surfaces of Pt single crystal electrode are comparatively stable under the same external *** present study has gained knowledge on the interaction between CO_(2)and Pt single crystal electrode surfaces at a micro-scopic level,and thrown new insight into understanding the surface processes of electrocatalytic re-duction of CO_(2).

关键词： Pt single crystal electrode stepped surface CO_(2)electro-catalyticreduction surface processes

Continuous water-water hydrogen bonding network across the rim of carbon nanotubes facilitating water transport for desalination

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Nano research 2021年第7期14卷 2171-2178页

作者： Yaqi Hou Miao Wang Xinyu Chen Xu Hou State Key Laboratory of physical Chemistry of solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China College of Materials Xiamen UniversityXiamen 361005China research institute for Biomimetics and Soft Matter Fujian Provincial Key Laboratory for Soft Functional Materials ResearchJiujiang Research InstituteCollege of Physical Science and TechnologyXiamen UniversityXiamen 361005China Collaborative Innovation Center of Chemistry for Energy Materials Xiamen UniversityXiamen 361005China Tan Kah Kee Innovation Laboratory Xiamen 361102China CAS Key Laboratory of Bio-inspired Materials and Interfacial Sciences Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China

The development of membranes featuring carbon nanotubes(CNTs)have provided possibilities of next-generation solar desalination *** solar desalination,the microstructures and interactions between the filter membrane and seawater play a crucial role in desalination *** the mechanisms of water evaporation and ion rejection in confined pores or channels is necessary to optimize the desalting ***,using non-equilibrium molecular dynamics simulations,we found that continuous water-water hydrogen bonding network across the rims of CNTs is the key factor in facilitating water transport through *** the continuous hydrogen bonding network,the water flux is two times of that without the continuous hydrogen bonding *** CNT arrays,each CNT transports water molecules and rejects salt ions *** on these observations,using CNT arrays consisted with densely packed thin CNTs is the most advisable strategy for evaporation desalination,possessing high transport flux as well as maintaining high salt rejection.

关键词： carbon nanotubes hydrogen bonding network facilitated water transport salt rejection desalination

Ring strain strategy for the control of regioselectivity. Goldcatalyzed anti-Markovnikov cycloisomerization initiated tandem reactions of alkynes

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Science Bulletin 2017年第5期62卷 352-357页

作者： Chao Shu Long Li Tong-De Tan Ding-Qiang Yuan Long-Wu Ye State Key Laboratory of physical Chemistry of solid Surfaces and The Key Laboratory for Chemical Biology of Fujian Province College of Chemistry and Chemical EngineeringXiamen University State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of Sciences

Gold-catalyzed nucleophilic addition to terminal alkynes has received considerable interest in the past decade, as this chemistry offers a highly efficient and regioselective way for CAC, CAH and CAX bond formation. However, such a nucleophilic addition mainly involves a Markovnikov addition. In this short review, the recent progress of the gold-catalyzed 5-endo-dig cycloisomerization-initiated tandem reactions by utilizing the steric strain in ring formation to achieve an anti-Markovnikov regioselectivity was reviewed, including the scope of reactions, mechanism and synthetic applications.

关键词： Gold Heterocycles Ring strain Cyclization Tandem reaction