CO oxidation on rutile-supported Au nanoparticles

被引:357
作者
Remediakis, IN [1 ]
Lopez, N
Norskov, JK
机构
[1] Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark
[2] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain
关键词
density functional calculations; gold; heterogeneous catalysis; nanostructures; titanium oxide;
D O I
10.1002/anie.200461699
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
What makes inert gold active? The answer lies in controlling the structure of Au particles at the nanoscale: Either many interface sites or many low-coordinate Au atoms need to be present in the particles. This principle is demonstrated by modeling the oxidation of CO on a rutile (TiO 2)-supported Au nanocluster, the transition state of which does not involve the titania support (see picture: Au yellow, Ti light gray, C dark gray, O red). (Figure Presented) © 2005 Wiley-VCH Verlag GmbH S. Co. KGaA.
引用
收藏
页码:1824 / 1826
页数:3
相关论文
共 23 条
[21]   Structure sensitivity of CO oxidation over model Au/TiO2 catalysts [J].
Valden, M ;
Pak, S ;
Lai, X ;
Goodman, DW .
CATALYSIS LETTERS, 1998, 56 (01) :7-10
[22]   SOFT SELF-CONSISTENT PSEUDOPOTENTIALS IN A GENERALIZED EIGENVALUE FORMALISM [J].
VANDERBILT, D .
PHYSICAL REVIEW B, 1990, 41 (11) :7892-7895
[23]   Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110) -: art. no. 026101 [J].
Wahlström, E ;
Lopez, N ;
Schaub, R ;
Thostrup, P ;
Ronnau, A ;
Africh, C ;
Lægsgaard, E ;
Norskov, JK ;
Besenbacher, F .
PHYSICAL REVIEW LETTERS, 2003, 90 (02) :4