Effect of coadsorption and Ru alloying on the adsorption of CO on Pt

被引:39
作者
Han, B. C. [1 ]
Ceder, G. [1 ]
机构
[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA
关键词
D O I
10.1103/PhysRevB.74.205418
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a study of the factors that influence the adsorption of CO on a Pt(111) surface. Coadsorption of O and OH, as well as alloying of Ru is investigated. We find that coadsorption of CO either with O or OH on Pt weakens the strength of the Pt-CO bond, through a largely strain mediated interaction. Alloying Pt with Ru on the surface only slightly enhances the adsorption energy of CO relative to that of pure Pt. However, once Ru is oxidized by O or OH the adsorption energy of CO on a neighboring Pt is dramatically reduced. These findings as well as some information on the competitive adsorption behavior are discussed in the context of designing CO-tolerant Pt catalysts.
引用
收藏
页数:8
相关论文
共 54 条
[1]  
[Anonymous], 1994, INTRO SURFACE CHEM C
[2]  
Ashcroft N.W., 1976, Solid State Physics
[3]   Metallic nature and surface diffusion of CO adsorbed on Ru nanoparticles in aqueous media:: A 13C NMR study [J].
Babu, PK ;
Chung, JH ;
Kuk, ST ;
Kobayashi, T ;
Oldfield, E ;
Wieckowski, A .
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (07) :2474-2477
[4]   Density functional theory study of the interaction between CO and on a Pt surface: CO/Pt(111), O/Pt(111), and CO/O/Pt(111) [J].
Bleakley, K ;
Hu, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (33) :7644-7652
[5]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[6]   First-principles diffusion-barrier calculation for atomic oxygen on Pt(111) [J].
Bogicevic, A ;
Stromquist, J ;
Lundqvist, BI .
PHYSICAL REVIEW B, 1998, 57 (08) :R4289-R4292
[7]   A MOLECULAR-BEAM STUDY OF THE CATALYTIC-OXIDATION OF CO ON A PT(111) SURFACE [J].
CAMPBELL, CT ;
ERTL, G ;
KUIPERS, H ;
SEGNER, J .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (11) :5862-5873
[8]  
DABO I, COMMUNICATION
[9]   Reaction channels for the catalytic oxidation of CO on Pt(111) [J].
Eichler, A ;
Hafner, J .
PHYSICAL REVIEW B, 1999, 59 (08) :5960-5967
[10]   Molecular precursors in the dissociative adsorption of O-2 on Pt(111) [J].
Eichler, A ;
Hafner, J .
PHYSICAL REVIEW LETTERS, 1997, 79 (22) :4481-4484