回复feixiong5134发表于：2009/4/20 19:39:06悬赏金额：
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【序号】：1
【作者】： Zhi-Pan Liu, Xue-Qing Gong1, Jorge Kohanoff2, Cristián Sanchez2, and P. Hu1
【题名】： Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on TiO2 Supported Au
【期刊】： Phys. Rev. Lett.
【年、卷、期】： 91, 266102 (2003)
【全文链接】：http://prola.aps.org/abstract/PRL/v91/i26/e266102
【序号】：2
【作者】：John M. H. Lo and Tom Ziegler
【题名】：Chemisorption and Reactivity of CHx (x = 0−4) on Fe−Co Alloy Surfaces
【期刊】：J. Phys. Chem. C,
【年、卷、期】： 2008, 112 (35), pp 13642–13649
【全文链接】：http://admin.pubs.acs.org/doi/abs/10.1021/jp8038219
【序号】：3
【作者】： Xue-Qing Gong, Zhi-Pan Liu,† Rasmita Raval
【题名： A Systematic Study of CO Oxidation on Metals and Metal Oxides: Density Functional Theory Calculations
【期刊】： J. Am. Chem. Soc.,
【年、卷、期】：2004, 126 (1), pp 8–9
【全文链接】：file:///H:/ch4/A%20Systematic%20Study%20of%20CO%20Oxidation%20on%20Metals%20and%20Metal%20Oxides%20Density%20Functional%20Theory%20Calculations%20-%20Journal%20of%20the%20American%20Chemical%20Society%20(ACS%20Publications).mht
【序号】：4
【作者】： Zhi-Pan Liu and P. Hu
【题名】：A New Insight into Fischer−Tropsch Synthesis
【期刊】：J. Am. Chem. Soc.,
【年、卷、期】： 2002, 124 (39), pp 11568–11569
【全文链接】：http://pubs.acs.org/doi/abs/10.1021/ja012759w
【序号】：5
【作者】： M. Mavrikakis and A. A. Gokhale
【题名】：
【期刊】： Abstr. Pap. - Am. Chem. Soc
【年、卷、期】：,.229, U861 2005
【全文链接】：
第5篇文章查不到相关信息，所以求大家帮忙
【序号】：5
【作者】： Mavrikakis M, Gokhale AA
【题名】： Early Fischer-Tropsch steps on Fe(110) and Co(0001) surfaces: Comparative DFT studies
【期刊】： ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
【年、卷、期】：Volume: 229 Pages: U861-U861 Part: Part 1 Meeting Abstract: 067-FUEL Published: MAR 13 2005
Conference Information: 229th National Meeting of the American-Chemical-Society
San Diego, CA, MAR 13-17, 2005
Amer Chem Soc
【全文链接】：http://oasys2.confex.com/acs/229nm/techprogram/P850636.HTM
这个可能只是个会议报告，没有全文。
下面是网页内容：
Early fischer-tropsch steps on Fe(110) and Co(0001) surfaces: Comparative DFT studies
FUEL 67
Manos Mavrikakis, manos@engr.wisc.edu, Department of Chemical & Biological Engineering, University of Wisconsin, Madison, WI 53706-1691 and Amit A. Gokhale, Department of Chemical and Biological Engineering, University of Wisconsin – Madison, Madison, WI 53706.
In this study, we perform a periodic, self-consistent, spin-polarized DFT investigation of methane formation from CO and H2 on Fe(110) and Co(0001) surfaces. We examine the binding of various reaction intermediates and determine the energetics of the elementary steps such as CO dissociation, and H addition to C and its partially hydrogenated fragments. Based on these energetics we construct the thermodynamic potential energy surfaces (PESs) for methane formation on Fe(110) and Co(0001), and use these PESs to develop FTS related insights.
Computational Methods and Modeling in Fuel Chemistry
1:20 PM-5:20 PM, Monday, 14 March 2005 Hyatt Regency -- Annie A-B, Oral
Division of Fuel Chemistry
The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005
dong3626 回复于：2009/4/20 19:49:39
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