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]
引用
收藏
页数:6
相关论文
共 37 条
[21]   Surface phonon dispersion of the deuterium-terminated Si(111)-(1x1) surface [J].
Kato, Hiroki ;
Taoka, Takumi ;
Suto, Shozo ;
Motoya, Tsukasa ;
Kasuya, Atsuo ;
Yamada, Taro .
PHYSICAL REVIEW B, 2007, 75 (08)
[22]   CO stretching vibrations on Pt(111) and Pt(110) studied by sum-frequency generation [J].
Klunker, C ;
Balden, M ;
Lehwald, S ;
Daum, W .
SURFACE SCIENCE, 1996, 360 (1-3) :104-111
[23]   Neutron and x-ray diffraction study and symmetry analysis of phase transformations in lower tungsten carbide W2C [J].
Kurlov, A. S. ;
Gusev, A. I. .
PHYSICAL REVIEW B, 2007, 76 (17)
[24]   PLATINUM-LIKE BEHAVIOR OF TUNGSTEN CARBIDE IN SURFACE CATALYSIS [J].
LEVY, RB ;
BOUDART, M .
SCIENCE, 1973, 181 (4099) :547-549
[25]   A TIME RESOLVED ELECTRON-ENERGY LOSS SPECTROSCOPY STUDY OF CO ON PT(111) - ADSORPTION SITE OCCUPATIONS VERSUS COVERAGE AND TEMPERATURE [J].
MIEHER, WD ;
WHITMAN, LJ ;
HO, W .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (05) :3228-3239
[26]   PREPARATION OF MO2C SINGLE-CRYSTALS BY THE FLOATING-ZONE METHOD [J].
OTANI, S ;
ISHIZAWA, Y .
JOURNAL OF CRYSTAL GROWTH, 1995, 154 (1-2) :202-204
[27]   Surface structure and energetics of oxygen and CO adsorption on α-Mo2C(0001) [J].
Ren, J ;
Huo, CF ;
Wang, JG ;
Li, YW ;
Jiao, HJ .
SURFACE SCIENCE, 2005, 596 (1-3) :212-221
[28]   The reliability of vibrational spectroscopy as a means of identification of the structures of chemisorbed species on metal surfaces:: the cases of CO, NO and C2 hydrocarbon surface species [J].
Sheppard, N ;
De La Cruz, C .
CATALYSIS TODAY, 2001, 70 (1-3) :3-13
[29]   CO and NO Adsorption and Dissociation at the B-Mo2C(0001) Surface: A Density Functional Theory Study [J].
Shi, Xue-Rong ;
Wang, Jianguo ;
Hermann, Klaus .
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (32) :13630-13641
[30]   Pressure dependence (10(-10)-700 Torr) of the vibrational spectra of adsorbed CO on Pt(111) studied by sum frequency generation [J].
Su, XC ;
Cremer, PS ;
Shen, YR ;
Somorjai, GA .
PHYSICAL REVIEW LETTERS, 1996, 77 (18) :3858-3860