Nitrogen Monoxide Adsorption on Pt4 Clusters Coated on γ-Al2O3 (111) Surface

被引：13
作者：
Oemry, Ferensa [1 ]
Escano, Mary Clare [1 ]
Kishi, Hirofumi [1 ]
Kunikata, Shinichi [1 ]
Nakanishi, Hiroshi [1 ]
Kasai, Hideaki [1 ]
Maekawa, Hiroyoshi [2 ]
Osumi, Kazuo [2 ]
Tashiro, Yoshihisa [2 ]
机构：
[1] Osaka Univ, Grad Sch Engn, Dept Appl Phys, Suita, Osaka 5650871, Japan
[2] Isuzu Adv Engn Ctr Ltd, Kanagawa 2528501, Japan
来源：
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | 2011年 / 11卷 / 04期
关键词：
Diesel Oxidation Catalyst; Nitrogen Monoxide; Adsorption; Platinum Tetramer Cluster; Alumina; MOLECULAR-DYNAMICS; PLATINUM CLUSTERS; ACTIVATION; TRANSITION; PALLADIUM; ADHESION; CATALYST; METHANE; RHODIUM; N2O;
D O I：
10.1166/jnn.2011.3915
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The nitrogen monoxide (NO) adsorption on platinum tetramer (Pt-4) clusters supported on gamma alumina (gamma-Al2O3) with surface index (111) was investigated by using ab-initio calculation based on density functional theory. The Pt-4 geometries used in this study are tetrahedron and planar rhombus. The adsorption of Pt-4 on gamma-Al2O3(111) surface in tetrahedron configuration is energetically more favorable as compared to that of the planar rhombus. However, it was found that NO molecule adheres strongly to Pt-4 with planar configuration on gamma-Al2O3(111) surface. In addition, the NO adsorption calculation on the isolated Pt-4 clusters also shows similar preference to planar configuration. The local density of states (LDOS) reveals that the difference in reactivity comes from the different hybridization strengths between the electronic states of nitrogen atom and those of platinum tetramers. The results are in good agreement with the experiments which show similar tendency for CO and N2O reactivity to gas-phase platinum clusters.
引用
收藏
页码：2844 / 2850
页数：7
相关论文
共 31 条
  • [1] Methane activation by platinum cluster ions in the gas phase:: effects of cluster charge on the Pt4 tetramer
    Achatz, U
    Berg, C
    Joos, S
    Fox, BS
    Beyer, MK
    Niedner-Schatteburg, G
    Bondybey, VE
    [J]. CHEMICAL PHYSICS LETTERS, 2000, 320 (1-2) : 53 - 58
  • [2] METAL-CERAMIC ADHESION - QUANTUM-MECHANICAL MODELING OF TRANSITION METAL-AL2O3 INTERFACES
    ALEMANY, P
    BOORSE, RS
    BURLITCH, JM
    HOFFMANN, R
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (32) : 8464 - 8475
  • [3] Reactions of platinum clusters 195Ptn±, n=1-24, with N2O studied with isotopically enriched platinum
    Balteanu, I
    Balaj, OP
    Beyer, MK
    Bondybey, VE
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (11) : 2910 - 2913
  • [4] Growth pattern and bonding trends in Ptn (n=2-13) clusters:: Theoretical investigation based on first principle calculations
    Bhattacharyya, Kaustava
    Majumder, Chiranjib
    [J]. CHEMICAL PHYSICS LETTERS, 2007, 446 (4-6) : 374 - 379
  • [5] Supported metal electronic structure: Implications for molecular adsorption
    Cooper, VR
    Kolpak, AM
    Yourdshahyan, Y
    Rappe, AM
    [J]. PHYSICAL REVIEW B, 2005, 72 (08)
  • [6] ELECTRONIC-STRUCTURES OF PD-4 AND PT-4
    DAI, DG
    BALASUBRAMANIAN, K
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (02) : 648 - 655
  • [7] Adsorption of NO on rhodium and palladium clusters: a density functional study
    Endou, A
    Yamauchi, R
    Kubo, M
    Stirling, A
    Miyamoto, A
    [J]. APPLIED SURFACE SCIENCE, 1997, 119 (3-4) : 318 - 320
  • [8] Density functional calculations on small platinum clusters:: Ptnq (n=1-4, q=0, ±1)
    Fortunelli, A
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 493 : 233 - 240
  • [9] Structure dependence of NO adsorption and dissociation on platinum surfaces
    Ge, Q
    Neurock, M
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (05) : 1551 - 1559
  • [10] Gold and platinum microclusters and their anions:: comparison of structural and electronic properties
    Grönbeck, H
    Andreoni, W
    [J]. CHEMICAL PHYSICS, 2000, 262 (01) : 1 - 14
1234