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Acta Physico-Chimica Sinica  2009, Vol. 25 Issue (08): 1485-1489    DOI: 10.3866/PKU.WHXB20090903
Article     
Determination of the Adsorption Sites of tert-Butylamine Molecules on a Cu(111) Surface with a Co-Adsorbed CO Monolayer
CHEN Yu-Min, DENG Ke, QIU Xiao-Hui, WANG Chen
National Center for Nanoscience and Technology, China, Beijing 100190, P. R. China
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Abstract  

Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to investigate the adsorption sites of separable tert-butylamine (t-BA) molecules on a Cu(111) surface at 78 K. We developed a method that uses CO molecules on a co-adsorbed √3 ×√3 superstructure as markers for copper atoms on the surface lattice. This method revealed an on-top adsorption for t-BA on the Cu(111) surface. At low coverage, t-BA molecules preferentially adsorbed at the top sites of the Cu(111) surface and this was confirmed using a single CO molecule as a marker for a copper atom. DFT calculations were performed to study the most stable adsorption configuration of t-BA on the terrace of the Cu(111) surface at 78 K. Calculation results indicate that the top site is the most energetically preferred adsorption site for a single t-BA molecule on the terrace, which agrees well with the experimental results.



Key wordsScanning tunneling microscopy      Adsorption site      Single molecule      Co-adsorption      Density functional theory     
Received: 16 June 2009      Published: 07 July 2009
MSC2000:  O641  
  O647  
Corresponding Authors: QIU Xiao-Hui, WANG Chen     E-mail: xhqiu@nanoctr.cn; wangch@nanoctr.cn
Cite this article:

CHEN Yu-Min, DENG Ke, QIU Xiao-Hui, WANG Chen. Determination of the Adsorption Sites of tert-Butylamine Molecules on a Cu(111) Surface with a Co-Adsorbed CO Monolayer. Acta Physico-Chimica Sinica, 2009, 25(08): 1485-1489.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB20090903     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2009/V25/I08/1485

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