Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100)

被引：111

作者：

Blanco-Rey, M. ^{[1
,2
]}

Juaristi, J. I. ^{[1
,2
,3
]}

Diez Muino, R. ^{[2
,3
]}

Busnengo, H. F. ^{[4
,5
]}

Kroes, G. J. ^{[6
]}

Alducin, M. ^{[2
,3
]}

机构：

[1] Fac Quim UPV EHU, Dept Fis Mat, Donostia San Sebastian 20018, Spain

[2] DIPC, Donostia San Sebastian 20018, Spain

[3] Ctr Fis Mat CFM MPC CSIC UPV EHU, Donostia San Sebastian 20018, Spain

[4] Inst Fis Rosario, RA-2000 Rosario, Santa Fe, Argentina

[5] Univ Nacl Rosario, RA-2000 Rosario, Santa Fe, Argentina

[6] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands

来源：

PHYSICAL REVIEW LETTERS | 2014年 / 112卷 / 10期

关键词：

SINGLE-MOLECULE DISSOCIATION; CHEMICAL-REACTIONS; H-2; DISSOCIATION; STOPPING POWER; SURFACE; SCATTERING; DYNAMICS; ADSORPTION; OXYGEN; EXCITATIONS;

D O I：

10.1103/PhysRevLett.112.103203

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H-2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.

引用

页数：5

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