A theoretical study on adsorption geometry of ethylene on the Ni(110) surface

作者：Li B; Bao SN^*; Zhuang YY; Cao PL

来源：Physica B: Condensed Matter , 2003, 325(1-4): 92-97.

DOI：10.1016/S0921-4526(02)01454-0

• ethylene
• Ni(110) surface
• adsorption sites

The favourite adsorption sites of ethylene on the Ni(110) surface at high and low coverage has been obtained by the cluster calculations. At low coverage, an isolated ethylene molecule occupies a site approximately midway between short-bridge and atop sites, the C-C-axis of molecule is slightly parallel to the ridges and offset in [100] direction, the tilt angle of the C-C-axis with the Ni surface plane is about 10degrees. The C-C bond length is 1.51 Angstrom. At high coverage (0.5 ML), ethylene on Ni(110) form a c (2 x 4) ordered phase. The local adsorption sites of two ethylene molecules in a surface unit mesh are found to be similar to that at low coverage, but the C-C bond lengths are 1.42 and 1.43 Angstrom respectively.

• 出版日期2003-1
• 单位浙江大学