Hydrogen on metal surfaces: Forever young

被引:25
作者
Gross, Axel [1 ]
机构
[1] Univ Ulm, Inst Theoret Chem, D-89069 Ulm, Germany
关键词
Metal surfaces; Transition metals; Hydrogen; Adsorption; Absorption; Density functional theory; Subsurface penetration; Diffusion; 6-DIMENSIONAL QUANTUM DYNAMICS; POTENTIAL-ENERGY SURFACE; DISSOCIATIVE CHEMISORPTION; H-2; DISSOCIATION; REACTIVITY; ADSORPTION; CU(100);
D O I
10.1016/j.susc.2012.01.005
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This paper provides a perspective on the article "Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study" by Ferrin et al. in this issue. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码:690 / 691
页数:2
相关论文
共 21 条
[1]   INTERACTION OF HYDROGEN WITH SOLID-SURFACES [J].
CHRISTMANN, K .
SURFACE SCIENCE REPORTS, 1988, 9 (1-3) :1-163
[2]   EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453
[3]   Hydrogen adsorption on palladium, a comparative theoretical study of different surfaces [J].
Dong, W ;
Ledentu, V ;
Sautet, P ;
Eichler, A ;
Hafner, J .
SURFACE SCIENCE, 1998, 411 (1-2) :123-136
[4]  
DUKE CB, 1994, SURF SCI, V299
[5]   Role of zero-point effects in catalytic reactions involving hydrogen [J].
Gross, A ;
Scheffler, M .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 1997, 15 (03) :1624-1629
[6]   Scattering of hydrogen molecules from a reactive surface: Strong off-specular and rotationally inelastic diffraction [J].
Gross, A ;
Scheffler, M .
CHEMICAL PHYSICS LETTERS, 1996, 263 (3-4) :567-573
[7]   Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations [J].
Gross, Axel .
JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (17)
[8]   Electronic factors determining the reactivity of metal surfaces [J].
Hammer, B ;
Norskov, JK .
SURFACE SCIENCE, 1995, 343 (03) :211-220
[9]   MULTIDIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-2 DISSOCIATION OVER CU(111) [J].
HAMMER, B ;
SCHEFFLER, M ;
JACOBSEN, KW ;
NORSKOV, JK .
PHYSICAL REVIEW LETTERS, 1994, 73 (10) :1400-1403
[10]   Optical properties of MgH2 measured in situ by ellipsometry and spectrophotometry -: art. no. 115112 [J].
Isidorsson, J ;
Giebels, IAME ;
Arwin, H ;
Griessen, R .
PHYSICAL REVIEW B, 2003, 68 (11)