Citation: 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[J]. Acta Physico-Chimica Sinica, 2009, 25(08): 1485-1489. doi: 10.3866/PKU.WHXB20090903
一氧化碳共吸附法确定叔丁胺分子在Cu(111)表面的吸附位
English
Determination of the Adsorption Sites of tert-Butylamine Molecules on a Cu(111) Surface with a Co-Adsorbed CO Monolayer
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.
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