采用密度泛函理论,对Pt(111)和Pt3Ni(111)表面上CO和O的单独吸附、共吸附以及CO的氧化反应进行了系统的研究. 结果表明, Pt3Ni(111)表面上CO的吸附弱于Pt(111)表面, O的吸附明显强于Pt(111)表面. 两个表面表现出相似的CO催化氧化活性. 表面Ni的存在不但稳定了O的吸附,同时也降低了过渡态O的能量.
参考文献
| [1] | Ertl G .[J].Surface Science,1994,299-300:742. |
| [2] | WINTTERLIN J.;VOLKENING S.;JANSSENS T. V. W.;ZAMBELLI T.;ERTL G. .ATOMIC AND MACROSCOPIC REACTION RATES OF A SURFACE-CATALYZED REACTION[J].Science,1997(5345):1931-1934. |
| [3] | Valden M;Lai X;Goodman D W .[J].Science,1998,281(5383):1647. |
| [4] | 王东辉,程代云,郝郑平,史喜成.纳米金催化剂上CO低（常）温氧化的研究[J].化学进展,2002(05):360-367. |
| [5] | 周仁贤;郑小明 .[J].催化学报,1995,16(04):324. |
| [6] | 王桂英,廉红蕾,徐跃,张文祥,蒋大振,吴通好.沉淀剂对AU/ZnO催化剂CO氧化性能及催化剂结构的影响[J].高等学校化学学报,2001(11):1873-1876. |
| [7] | Liu P;Logadottir A;Nφrskov J K .[J].Electrochimica Acta,2003,48(25-26):3731. |
| [8] | Zhang C J;Baxter R J;Hu P;Alavi A Lee M H .[J].Journal of Chemical Physics,2001,115(11):5272. |
| [9] | Dupont C;Jugnet Y;Loffreda D .Theoretical evidence of PtSn alloy efficiency for CO oxidation[J].Journal of the American Chemical Society,2006(28):9129-9136. |
| [10] | Stamenkovic VR;Mun BS;Arenz M;Mayrhofer KJJ;Lucas CA;Wang GF;Ross PN;Markovic NM .Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces[J].Nature materials,2007(3):241-247. |
| [11] | Stamenkovic VR;Fowler B;Mun BS;Wang GF;Ross PN;Lucas CA;Markovic NM .Improved oxygen reduction activity on Pt3Ni(111) via increased surface site availability[J].Science,2007(26):493-497. |
| [12] | Stamenkovic V;Mun B S;Mayrhofer K J J;Ross P N Markovic N M Rossmeisl J Greeley J Nφrskov J K .[J].Angewandte Chemie International Edition,2006,45(18):2897. |
| [13] | Hammer B.;Norskov JK.;Hansen LB. .Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals[J].Physical Review.B.Condensed Matter,1999(11):7413-7421. |
| [14] | White J A;Bird D M .[J].Physical Review B,1994,50(07):4954. |
| [15] | Perdew J P;Chevary J A;Vosko S H;Jackson K A Pederson M R Singh D J Fiolhais C .[J].Physical Review B,1992,46(11):6671. |
| [16] | Xu Y;Ruban A V;Mavrikakis M .[J].Journal of the American Chemical Society,2004,126(14):4717. |
| [17] | Xu L;Mao HY;Zu XT .First-principles study on the geometry and stability of CO and hydrogen coadsorption on the Ni(111)2x2 surface[J].Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature,2006(2-3):334-340. |
| [18] | Eichler A;Mittendorfer F;Hafner J .[J].Physical Review B,2000,62(07):4744. |
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