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Coke-Resistant　Ni-based　Catayst　for　Partial　Oxidation　and　CO_2-Reforming　of　Methane　to　Syngas

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Chemical Research in Chinese Universities 1997年第1期13卷 85-87页

作者： CHEN Ping, ZHANG Hong bin, LIN Guo dong, GUO Zhong ping, TSAI Khi rui (Department of chemistry & state key laboratory for physical chemistry of the solid Surface, xiamen university, xiamen, 361.05)

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关键词： Coke resistant Ni catalyst Methane Partial oxidation CO 2 reforming Syngas

Modeling Large Biomolecules:TCL-Based Combined QM/MM Approach and Its Application

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Modeling Large Biomolecules:TCL-Based Combined QM/MM Approac...

第九届全国计算（机）化学学术会议

作者： Zexing Cao Department of chemistry,state key laboratory of physical chemistry of solid surfaces,and Center for Theoretical chemistry,xiamen university,xiamen 361.05

＜正＞Based on Tool Command Language（TcI）interpreter,a computational chemistry environment,ChemShell,has been developed *** provides the flexible interface to a variety of independent program packages.A range of computational chemistry packages can be integrated to perform combined quantum mechanics and molecular mechanics（QM/MM） calculations for complexes *** technical capacities of the current version 3.0 include single-point calculations,geometry optimization,molecular dynamics,mapping PE surfaces,and numeric frequencies at the QM/MM *** QM/MM strategy and QM methodologies have been applied to explore chemical reactions in biological *** provide a basis for description of an atomic level mechanism for chemical reactions biological systems.

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CuO-ZnO INTERACTION IN AHTD Cu-BASED CATALYST FOR METHANOL SYNTHESIS FROM CO/H2

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Journal of Energy chemistry 1994年第3期 280-285页

作者： HU Yun-Hang WAN Hui-Lin TSAI Khi-RuiDepartment of Cheimsbry and state key laboratory for physical Cheimsbry of the solid Sur face xiamen university xiamen, Fujian 361.05

A CU/ZnO catalyst for methanol synthesis from CO/H, was pre-pared directly using metal nitrates by Aerosol High Temperature Decomposition（AHTD） *** the TPR of the AHTD Cu/ZnO catalyst,there were tworeduction *** results showed CuO reduction took place at least partiallyinvolving two stepe:Ch→Cuand Cu→*** the basis of the resultsof TPR,XRD,XPS and activity test,we supposed that there be an interactionbetween CuO and ZnO in AHTD Cu/ZnO catalyst.

关键词： CuO-ZnO INTERACTION IN AHTD Cu-BASED CATALYST FOR METHANOL SYNTHESIS FROM CO/H2 ZnO XRD CO

OXIDATIVE COUPLING OF METHANE OVER Na_2CO_3 DOPED ZIRCONIUM DIORIDE

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Chinese Chemical Letters 1991年第12期2卷 967-970页

作者： Yong Qiang GONG, Fan Cheng WANG, Chak Tong AU, Hui Lin WAN, and Khi Rui TSAI Department of chemistry, xiamen university and state key laboratory for physical chemistry of the solid Surface, xiamen, 361.05

Na_2CO_3/ZrO_2 catalyst shows a high activity of oxidative coupling of methane. It possesses stronger electron donor ability than that of ZrO_2 catalyst. The activation of methane is supposed to relate to the O_2^- or... 详细信息

关键词： than OXIDATIVE COUPLING OF METHANE OVER Na2CO3 DOPED ZIRCONIUM DIORIDE Na CO

Electrochemical Microfabrication

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Electrochemical Microfabrication

中国化学会第28届学术年会

作者： Dongping Zhan,* Dezhi Yang,Lianhuan Han,Jie Zhang Department of chemistry,xiamen university state key laboratory for physical chemistry of solid surfaces,xiamen university xiamen 361.05,china

＜正＞Electrochemical microfabrication plays an important role in the micromanufacture including the synthesis and assembly of functional components and constructures in MEMS,modern micro-optics and microchips.

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Bondings and Interactions in Fe-CO:Pairing versus Unpairing Mechanism

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Chinese Chemical Letters 1997年第5期8卷 443-446页

作者： Xin XU Nan Qin WANG Xin LU Qian Er ZHANG(state key taloratory of physical CheAnsny on solid Surface, Institute of physical Chethestry,Department of Chendstry, xiamen 361.05) xiamen UNIV DEPT CHEMINST PHYS CHEMSTATE KEY LAB PHYS CHEM SOLID SURFACEXIAMEN 361005PEOPLES R CHINA

Four micro states of Fe-CO with 3d(sigma)-4s and 3d(delta)-3d(delta) electrons spin-paired or unpaired are examined to investigate the influence of pairing versus unpairing mechanism upon the bondings and interactions in Fe-CO. The calculation results show that the Fe-CO bondings and interactions are determined by a balance between the bonding stabilization and the exchange stabilization with or without 3d(sigma)-4s electron spin-pairing. The 3d(delta)-3d(delta) electron spin-pairing versus unpairing has a surprising large effect on the Fe-CO bonding properties, even though the 3d(delta) orbitals are usually considered as being nonbonding.

关键词： CO Fe Bondings and Interactions in Fe-CO

Short-term dynamics of nutrients influenced by upwelling in a small oligotrophic coastal ecosystem,Gan Bay,in the northwest Philippines

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Progress in Natural Science:Materials International 2009年第5期19卷 595-601页

作者： Yanping Xu, Minhan Dai, Weidong Zhai, Dongxing Yuan, Jinwen Liu, Zhenyu Sun, Hua Lin, Jingyu Wu state key laboratory of Marine Environmental Science, xiamen university, xiamen 361.05, china [a]state key laboratory of Marine Environmental Science Xiamen University Xiamen 361005 China

We present a time-series analysis of nutrient and pCO2 (partial pressure of CO2) levels in an oligotrophic coastal ecosystem (Gan Bay), which was likely to be influenced by upwelled subsurface water. Gan Bay is of Currimao Harbor, in the northwest Philippines and is located at the boundary of the South china Sea (SCS). This 42-h time-series observation was conducted in December 2006. In addition to continuous observations of dissolved oxygen (DO) and pCO2, discrete samples were collected at a depth of 5 m every 3 h for measurements of nutrients, including soluble reactive phosphorus (SRP) and inorganic nitrogen (NO3 + NO2 ) in order to examine their dynamics and possible physical and biological controls. We observed remarkably large short-term variations in the surface water, spanning a 10-fold change for SRP (32-330 nM) and from 2 . DO also varied substantially from a lower end of 171 to 205 lM O2. Surface water pCO2 changed from an equilibrium stage with the atmosphere ( 386 latm) to a stage where it was a significant source for the atmospheric CO2 (seawater pCO2 469 latm). We found that the variation of nutrients was driven neither by tidal mixing nor by biological activities, as was suggested by the variations in the total bacterial abundance and chlorophyll a. Instead, our inverse T-S relationship suggested a two end-member mixing process during the observation period. The N:P ratio throughout the observation period was 13.2, which is characteristic of SCS subsurface and deep waters. Moreover, pCO2 was correlated inversely with the sea surface temperature. It is likely, therefore, that an upwelled subsurface cold water with high nutrients, low-temperature and high-pCO2 existed. It should be noted that this upwelled cold water did not appear to impact the entire observation period (approximately 35 h of 42 h), which might suggest an extremely dynamic nature for this upwelled cold water mass.

关键词： Gan Bay South china Sea Nutrient dynamics Upwelling

Shape-control of Noble-metal and Metal Oxides with High-energy Facets Exposed

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Shape-control of Noble-metal and Metal Oxides with High-ener...

中国化学会第六届全国结构化学学术会议

作者： Zhao-Xiong Xie~* state key laboratory for physical chemistry of solid surfaces & Department of chemistry, College of chemistry and Chemical Engineering,xiamen university,xiamen 361.05,china.

＜正＞The physical and chemical properties of nanomaterials depend on the surface *** with high-energy facets exposed usually show high physical and chemical activities,due to abundant unsaturated coordination atoms and atomic steps and ***,in order to minimize the surface energy of the crystals,the high-energy facets quickly disappeared in the crystal growth ***,

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Preparation of Metal and Metal Oxide Nanocrystals with Exposed High-Energy Crystal Facets

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Preparation of Metal and Metal Oxide Nanocrystals with Expos...

中国化学会第六届全国结构化学学术会议

作者： Zhao-Xiong Xie state key laboratory for physical chemistry of solid surfaces & Department of chemistry, College of chemistry and Chemical Engineering,xiamen university,xiamen 361.05,china.

＜正＞The physical and chemical properties of nanocrystals depend on the surface *** with high-energy facets exposed usually show high physical and chemical activities,due to abundant unsaturated coordination atoms and atomic steps and ***,in order to minimize the surface energy of the crystals,the high-energy facets quickly disappeared in the crystal growth ***,

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