Ge adsorption on Pt(100) and Pt(111) surfaces: A density-functional study

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	Ge adsorption on Pt(100) and Pt(111) surfaces: A density-functional study
	He, G. M. ; He GM(何国敏)
刊名	http://dx.doi.org/10.1103/PhysRevB.71.195409
	2005-05
关键词	PT-GE/AL2O3 CATALYSTS METAL ADSORPTION CHEMISORPTION REDUCTION AL(111) GROWTH NA CO
英文摘要	Employing first-principles density-functional-theory generalized-gradient-approximation (DFT-GGA) calculations we have systematically investigated the adsorption of Ge on both Pt(100) and (111) surfaces, We considered both pure on-surface and surface-substitutional adsorption for a wide range of Ge coverage. Our results show that both surfaces are active towards adsorption of Ge, A significant repulsive interaction between Ge adatoms is also identified which causes the adsorption energy to decrease with increasing coverage. and on-surface adsorption becomes energetically unfavorable for coverage greater than about 0,5 monolayer on the (100) surface. At low Ge coverage both surfaces behave differently: on-surface adsorption is more preferential on (100) while substitutional adsorption is more favorable on (111), The reason for this qualitatively different behavior at the two surfaces is explained in terms of the structural and electronic effect,, that take place upon adsorption.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/68681]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	He, G. M.,He GM. Ge adsorption on Pt(100) and Pt(111) surfaces: A density-functional study[J]. http://dx.doi.org/10.1103/PhysRevB.71.195409,2005.
APA	He, G. M.,&何国敏.(2005).Ge adsorption on Pt(100) and Pt(111) surfaces: A density-functional study.http://dx.doi.org/10.1103/PhysRevB.71.195409.
MLA	He, G. M.,et al."Ge adsorption on Pt(100) and Pt(111) surfaces: A density-functional study".http://dx.doi.org/10.1103/PhysRevB.71.195409 (2005).