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题名: H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond
作者: Wu Jiawei1, 2;  Chen, Jun1, 3;  Guo, Qing1;  Su, Hai-Yan1;  Dai, Dongxu1;  Yang, Xueming1
关键词: Co(0001) surface ;  Water ;  Carbon monoxide ;  Intermolecular hydrogen bond
刊名: SURFACE SCIENCE
发表日期: 2017-09-01
DOI: 10.1016/j.susc.2017.04.008
卷: 663, 页:56-61
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Condensed Matter
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The co-adsorption of CO and H2O on a Co(0001) surface at 100 K has been systematically studied using temperature programmed desorption (TPD) and density functional theory (DFT) calculations. While the TPD spectra of CO is almost not affected by the presence of H2O, the stabilization of H2O by co-adsorbed CO is found for the first time in a large coverage range (0.15 ML < theta(co) < 0.66 ML; 0.01 ML < theta(H2O) < 0.6 ML). When the coverage of predosed CO is lower than 0.27 ML, the formerly single desorption peak of H2O is gradually separated into three peaks at 0.6 ML coverage. Those at lower and higher temperatures may be attributed to the repulsive interaction between H2O molecules and the attractive interaction between H2O and CO molecules, respectively. With increasing the coverage of predosed CO, not only the position of the high temperature peak shifts toward higher temperature (by about 15 K), but the intensity is greatly strengthened until a maximum is achieved when theta(co) = 0.36 ML. DFT calculations suggest that the attractive interaction between H2O and CO on Co(0001) originates from the formation of intermolecular hydrogen bonds. This work not only provides insights into water gas shift reactions with H2O and CO as reactants, but opens new avenues for a volume of catalytic process of technological importance.
关键词[WOS]: GAS SHIFT REACTION ;  WATER-ADSORPTION ;  CARBON-MONOXIDE ;  METAL-SURFACES ;  CO(0001) ;  CHEMISORPTION ;  CATALYSTS ;  COBALT ;  GOLD ;  OXIDATION
语种: 英语
WOS记录号: WOS:000405043300008
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152064
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China
2.Univ Chinese Acad Sci, 19 A Yuquan Rd, Beijing 100049, Peoples R China
3.Dalian Univ Technol, Sch Phys & Optoelect Engn, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Wu Jiawei,Chen, Jun,Guo, Qing,et al. H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond[J]. SURFACE SCIENCE,2017,663:56-61.
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