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Adsorption of CO and O2 on W2C(0001)
被引:4
作者:
Aizawa, Takashi
[1
]
Otani, Shigeki
[1
]
机构:
[1] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan
关键词:
DENSITY-FUNCTIONAL THEORY;
SUM-FREQUENCY GENERATION;
TUNGSTEN CARBIDES;
SURFACE SCIENCE;
WC(0001);
PT(111);
OXYGEN;
NO;
ELECTROCATALYSTS;
SPECTROSCOPY;
D O I:
10.1063/1.3650246
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:
CO, O-2, and H-2 adsorption on a clean W2C(0001)root 13 x root 13 R +/- 13.9 degrees reconstructed surface at room temperature (RT) were investigated using high-resolution electron energy loss spectroscopy (HREELS). The W2C(0001) adsorbs CO molecularly and adsorbs O-2 dissociatively, but does not adsorb H-2 at RT. In the CO adsorption system, two C-O stretching (antisymmetric CCO stretching) modes were found at 242.3 meV (1954 cm(-1)) and at 253.0 meV (2041 cm(-1)). The low-frequency site is occupied at first with subsequent conversion to the high-frequency site with increasing coverage. Additionally, a small peak was apparent at 104.5 meV (843 cm(-1)), and a middle peak at 50-51 meV (400-410 cm(-1)), which are assignable to a symmetric stretching mode and a hindered translational mode, respectively, of a CCO (ketenylidene) species. These observations are consistent with the CO adsorption model on top of the surface carbon. For oxygen adsorption, two adsorption states were found at 65.2-68.1 meV (526-549 cm(-1)) and 73.6 meV (594 cm(-1)): typical frequencies to oxygen adsorption on metal surfaces. Results suggest that atomic oxygen adsorption occurred on a threefold hollow site of the second W layer. (C) 2011 American Institute of Physics. [doi:10.1063/1.3650246]
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