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CO adsorption on small Aun(n=1–7) clusters supported on a reduced rutile TiO2(110) surface: a first-principles study |
| Wang Yun-Jiang(王云江), Wang Chong-Yu(王崇愚), and Wang Shan-Ying(王山鹰)† |
| Department of Physics, Tsinghua University, Beijing 100084, China |
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Abstract CO adsorption on small Aun(n=1–7) clusters which are supported by a partially reduced rutile TiO2(110) surface has been investigated by the first-principles method. The low coordinated sites of Au clusters are favorable for CO adsorption. CO–Aun–TiO2 system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.
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Received: 21 October 2010
Revised: 02 November 2010
Accepted manuscript online:
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PACS:
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68.43.Bc
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(Ab initio calculations of adsorbate structure and reactions)
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68.47.Jn
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(Clusters on oxide surfaces)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10604035) and the National Basic Research Program of China (Grant No. 2006CB605102). |
Cite this article:
Wang Yun-Jiang(王云江), Wang Chong-Yu(王崇愚), and Wang Shan-Ying(王山鹰) CO adsorption on small Aun(n=1–7) clusters supported on a reduced rutile TiO2(110) surface: a first-principles study 2011 Chin. Phys. B 20 036801
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Science Valden M, Lai X, Luo K, Guo Q and Goodman D W 1998 281 1647 2 Catal. Today Haruta M 1997 36 153 3 J. Catal Haruta M, Yamada N, Kobayashi T and Ijima S 1989 115 301 4 Catal. Lett Bamwenda G R, Tsubota S, Nakamura T and Haruta M 1997 44 83 5 Science Chen M S and Goodman D W 2004 306 252 6 J. Phys. Chem. B Boccuzzi F and Chiorino A 2000 104 5414 7 Catal. Lett Schumacher B, Plzak V, Kinne M and Behm R J 2003 89 109 8 J. Am. Chem. Soc Kim T S, Stiehl J S, Reeves C T, Meyer R J and Mullins C B 2003 125 2018 9 J. Chem. Phys Molina L M and Hammer B 2005 123 161104 10 J. Am. Chem. Soc Meier D C and Goodman D W 2004 126 1892 11 Science Matthey D, Wang J G, Wendt S, Matthiesen J, Schaub R, Laegsgaard E, Hammer B and Besenbacher F 2007 315 1692 12 Science Yoon B, Häkkinen H, Landman U, Wörz A S, Antonietti J-M, Abbet S, Judai K and Heiz U 2005 307 403 13 Science Campbell C T 2004 306 234 14 Science Herzing A A, Kiely C J, Carley A F, Landon P and Hutchings G J 2008 321 1331 15 Angew. Chem. Int. Ed Edwards P P and Thomas J M 2007 46 5480 16 J. Phys. Chem. B Wallace W T and Whetten R L 2000 104 10964 17 J. Phys. Chem Lee T H and Ervin K M 1994 98 10023 18 J. Chem. Phys Rousseau R and Marx D 2000 112 761 19 J. Chem. Phys Wu X, Senapati L, Nayak S K, Selloni A and Hajaligol M 2002 117 4010 20 Chem. Phys. Lett Molina L M, Lesarri A and Alonso J A 2009 468 201 21 J. Am. Chem. Soc Harding C, Habibpour V, Kunz S, Farnbacher A N-S, Heiz U, Yoon B and Landman U 2009 131 538 22 Surf. Sci Giordano L, Pacchioni G, Bredow T and Sanz J F 2001 471 21 23 Surf. Sci Lopez N and Noskov J K 2002 515 175 24 Surf. Sci. Rep Ganduglia-Pirovano M V, Hofmann A and Sauer J 2007 62 219 25 Surf. Sci Wang Y and Hwang G S 2003 542 72 26 J. Chem. Phys Vijay A, Mills G and Metiu H 2003 118 6536 27 Phys. Rev. Lett Wahlström E, Lopez N, Schaub R, Thostrup P, Ronnau A, Africh C, Laesgaard E, Norskov J K and Besenbacher F 2003 90 026101 28 Phys. Rev. B Okazaki K, Morikawa Y, Tanaka S, Tanaka K and Kohyama M 2004 69 235404 29 Phys. Rev. B Iddir H, "Ovgüt S, Browning N D and Disko M M 2005 72 30 J. Mol. Struct Pillay D and Hwang G S 2006 771 129 31 Phys. Rev. Lett Wang J G and Hammer B 2006 97 136107 32 J. Chem. Phys Madsen G K H and Hammera B 2009 130 044704 33 Phys. Rev. Lett Shibata N, Goto A, Matsunaga K, Mizoguchi T, Findlay S D, Yamamoto T and Ikuhara Y 2009 102 136105 34 J. Chem. Phys Chrétien S and Metiu H 2007 126 104701 35 J. Chem. Phys Chrétien S and Metiu H 2007 127 084704 36 J. Chem. Phys Chrétien S and Metiu H 2007 127 244708 37 J. Chem. Phys Chrétien S and Metiu H 2007 127 149902 38 Phys. Rev. B Pillay D and Hwang G S 2005 72 205422 39 Phys. Rev. B Pabisiak T and Kiejna A 2009 79 085411 40 J. Phys. Chem. B Anke S Wörz, Ueli Heiz, Fabrizio Cinquini and Gianfranco Pacchioni 2005 109 18418 41 Phys. Rev. B Kresse G and Hafner J 1993 48 13115 42 Phys. Rev. B Kresse G and Hafner J 1994 49 14251 43 Comput. Mater. Sci Kresse G and Furtmüller J 1996 6 15 44 Phys. Rev. B Kresse G and Joubert J 1999 59 1758 45 Phys. Rev. B Wang Y and Perdew J P 1991 44 13298 46 Phys. Rev. B Häkkinen H and Landman U 2000 62 47 Phys. Rev. B Wang J L, Wang G H and Zhao J J 2002 66 035418 48 Eur. Phys. J. D Dong Y and Springborg M 2007 43 15 49 J. Am. Chem. Soc Ryan M Olson, Sergey Varganov, Mark S Gordon, Horia Metiu, Steeve Chretien, Piotr Piecuch, Karol Kowalski, Stanislaw A Kucharski and Monika Musial 2005
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