DICP OpenIR
Carbon monoxide adsorption on molybdenum phosphides: Fourier transform infrared spectroscopic and density functional theory studies
Feng, ZC; Liang, CH; Wu, WC; Wu, ZL; van Santen, RA; Li, C
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
2003-12-11
DOI10.1021/jp035351p
Volume107Issue:49Pages:13698-13702
Indexed BySCI
SubtypeArticle
Department503
Funding Project503
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordTHIOPHENE HYDRODESULFURIZATION ; METAL PHOSPHIDES ; CO ADSORPTION ; CATALYSTS ; HYDRODENITROGENATION ; ALUMINA ; NITRIDE ; TRANSITION ; CARBIDE ; SURFACE
AbstractMolybdenum phosphide (MoP) and supported molybdenum phosphide (MoP/gamma-Al2O3) have been prepared by the temperature-programmed reduction method. The surface sites of the MoP/gamma-Al2O3 catalyst were characterized by carbon monoxide (CO) adsorption with in situ Fourier transform infrared (FT-IR) spectroscopy. A characteristic IR band at 2037 cm(-1) was observed on the MoP/gamma-Al2O3 that was reduced at 973 K. This band is attributed to linearly adsorbed CO on Mo atoms of the MoP surface and is similar to IR bands at 2040-2060 cm(-1), which correspond to CO that has been adsorbed on some noble metals, such as platinum, palladium, and rhodium. Density functional calculations of the structure of molybdenum phosphides, as well as CO chemisorption on the MoP(001) surface, have also been studied on periodic surface models, using the generalized gradient approximation (GGA) for the exchange-correlation functional. The results show that the chemisorption of CO on MoP occurred mainly on top of molybdenum, because the bonding of CO requires a localized mininum potential energy. The adsorption energy obtained is DeltaH(ads) approximate to -2.18 eV, and the vibrational frequency of CO is 2047 cm-1, which is in good agreement with the IR result of CO chernisorption on MoP/gamma-Al2O3.
Language英语
URL查看原文
WOS IDWOS:000187009700024
Citation statistics
Cited Times:22[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/82925
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Eindhoven Univ Technol, Schuit Inst Catalysis, NL-5600 MB Eindhoven, Netherlands
Recommended Citation
GB/T 7714
Feng, ZC,Liang, CH,Wu, WC,et al. Carbon monoxide adsorption on molybdenum phosphides: Fourier transform infrared spectroscopic and density functional theory studies[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2003,107(49):13698-13702.
APA Feng, ZC,Liang, CH,Wu, WC,Wu, ZL,van Santen, RA,&Li, C.(2003).Carbon monoxide adsorption on molybdenum phosphides: Fourier transform infrared spectroscopic and density functional theory studies.JOURNAL OF PHYSICAL CHEMISTRY B,107(49),13698-13702.
MLA Feng, ZC,et al."Carbon monoxide adsorption on molybdenum phosphides: Fourier transform infrared spectroscopic and density functional theory studies".JOURNAL OF PHYSICAL CHEMISTRY B 107.49(2003):13698-13702.
Files in This Item:
File Name/Size DocType Version Access License
2003CVQ3MXO88D.pdf(237KB) 开放获取--Application Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Feng, ZC]'s Articles
[Liang, CH]'s Articles
[Wu, WC]'s Articles
Baidu academic
Similar articles in Baidu academic
[Feng, ZC]'s Articles
[Liang, CH]'s Articles
[Wu, WC]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Feng, ZC]'s Articles
[Liang, CH]'s Articles
[Wu, WC]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.