H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond

doi:10.1016/j.susc.2017.04.008

	H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond
	Wu Jiawei 1,2; Chen, Jun 2,3; Guo, Qing 2; Su, Hai-Yan 2; Dai, Dongxu 2; Yang, Xueming 2
刊名	SURFACE SCIENCE
	2017-09-01
卷号	663 页码:56-61
关键词	Co(0001) Surface Water Carbon Monoxide Intermolecular Hydrogen Bond
DOI	10.1016/j.susc.2017.04.008
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.
语种	英语
WOS记录号	WOS:000405043300008
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/152064]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Univ Chinese Acad Sci, 19 A Yuquan Rd, Beijing 100049, Peoples R China 2.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China 3.Dalian Univ Technol, Sch Phys & Optoelect Engn, Dalian 116023, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	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.
APA	Wu Jiawei,Chen, Jun,Guo, Qing,Su, Hai-Yan,Dai, Dongxu,&Yang, Xueming.(2017).H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond.SURFACE SCIENCE,663,56-61.
MLA	Wu Jiawei,et al."H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond".SURFACE SCIENCE 663(2017):56-61.