Exploring the structure and chemical activity of 2-D gold islands on graphene moire/Ru(0001)

被引:34
|
作者
Xu, Ye [1 ]
Semidey-Flecha, Lymarie [1 ]
Liu, Li [2 ]
Zhou, Zihao [2 ]
Goodman, D. Wayne [2 ]
机构
[1] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA
[2] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA
关键词
DENSITY-FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; CO OXIDATION; CATALYTIC-ACTIVITY; SELECTIVE OXIDATION; CARBON-MONOXIDE; AU; NANOPARTICLES; CLUSTERS;
D O I
10.1039/c1fd00030f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Au deposited on Ru(0001)-supported extended, continuous graphene moire forms large 2-D islands at room temperature that are several nanometers in diameter but only 0.55 nm in height, in the apparent absence of typical binding sites such as defects and adsorbates. These Au islands conform to the corrugation of the underlying graphene and display commensurate moire patterns. Several extended Au structure models on graphene/Ru(0001) are examined using density functional theory calculations. Close-packed Au overlayers are energetically more stable, but all interact weakly with the support. Preliminary tests found the Au islands/graphene/Ru(0001) surface to be active for CO oxidation at cryogenic temperature, which suggests that the Au itself is the locus of catalytic activity.
引用
收藏
页码:267 / 276
页数:10
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