Abstract：Using density functional theory, the adsorption of CO on the Pt(111), Pt(100) surface were investigated. The adsorption energy，bond lengths of C- O, C- Pt, Pt- Pt, population analysis and density of state (DOS) were calculated．The results showed that the most stable mode is C- down on the Pt(111), Pt(100) surface, and there are orbital hybridizations between the orbits of C and Pt atoms. Generally to prevent platinum poisoning, a certain amount of oxygen can be used in the fuel gas, and the oxygen will react with CO to generate CO2. The calculation results show that CO2 can not be adsorbed on Pt (111) and (100) surfaces, which indicates that the generated CO2 will not stop the reaction between CO and Pt, thus will not reduce the catalytic effect of Pt.
陈艳平，秦宏伟，李玲，胡季帆. CO与CO2在铂表面吸附模式或可能性研究[J]. , 2015, 22(5): 1-5.
CHEN Yan- ping, QIN Hong- wei, LI Ling, HU Ji- fan. Study of adsorption modes or possibility for CO and CO2 on Pt surfaces. , 2015, 22(5): 1-5.
YH Sun, PG Gao and JW Zheng, et al. Surface-enhanced Raman spectrum studies of CO adsorbed on platinum in non-aqueous acetonitrile system. Spectroscopy and Spectral Analysis, 2002, 22(1): 33-35.
V. Tripkovic， First principles study of (Cd, Hg, In, Tl, Sn, Pb, As, Sb, Bi, Se) modified Pt(111), Pt(100) and Pt(211) electrodes as CO oxidation catalysts[J]， Electrochimica Acta, 2015, 168, 370-378。
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2015, Vol. 22 
