ROTATIONAL COOLING AND HEATING IN ACTIVATED ADSORPTION-DESORPTION FOR D2/CU(111)

被引:29
作者
BRUNNER, T [1 ]
BRENIG, W [1 ]
机构
[1] TECH UNIV MUNICH,DEPT PHYS,D-85747 GARCHING,GERMANY
关键词
D O I
10.1016/0039-6028(94)90286-0
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
We consider a simple model for studying the rotational dynamics in a dissociative adsorption process (D2 at a Cu(111) surface). The experimentally detected decrease of the sticking coefficient with the initial rotational state j at low j and its increase at high j are accounted for. While the first effect is due to a dynamical reorientation of the molecule the latter effect can be traced back to an elongation of the molecular bond during dissociation. Depending on the surface temperature either rotational cooling or heating in desorption is to be expected.
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页码:303 / 308
页数:6
相关论文
共 29 条
[1]   THE ROLE OF REACTANT ROTATION AND ROTATIONAL ALIGNMENT IN THE DISSOCIATIVE CHEMISORPTION OF HYDROGEN ON NI(100) [J].
BEAUREGARD, JN ;
MAYNE, HR .
CHEMICAL PHYSICS LETTERS, 1993, 205 (06) :515-520
[2]   NUMERICALLY STABLE SOLUTION OF COUPLED-CHANNEL EQUATIONS - THE LOCAL REFLECTION MATRIX [J].
BRENIG, W ;
BRUNNER, T ;
GROSS, A ;
RUSS, R .
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1993, 93 (01) :91-101
[3]   MIXED QUANTUM-CLASSICAL STUDIES OF H-2 DISSOCIATION ON METALS - DEPENDENCE UPON MOLECULAR-GEOMETRY AND DIMENSIONALITY [J].
CRUZ, AJ ;
JACKSON, B .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (08) :5715-5722
[4]   HYDROGEN DISSOCIATION ON COPPER - IMPORTANCE OF DIMENSIONALITY IN CALCULATIONS OF THE STICKING COEFFICIENT [J].
ENGDAHL, C ;
NIELSEN, U .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (05) :4223-4233
[5]   INFLUENCE OF THE INITIAL ROTATIONAL STATE ON THE DISSOCIATION OF HYDROGEN ON COPPER [J].
ENGDAHL, C ;
LUNDQVIST, BI .
CHEMICAL PHYSICS LETTERS, 1993, 215 (1-3) :103-108
[6]   DYNAMIC STUDY OF THE ADSORPTION OF HYDROGEN ON THE W(001) SURFACE [J].
FORNI, A ;
DESJONQUERES, MC ;
SPANJAARD, D ;
TANTARDINI, GF .
SURFACE SCIENCE, 1992, 269 :201-206
[7]   CLASSICAL TRAJECTORY STUDIES OF HYDROGEN DISSOCIATION ON A CU(100) SURFACE [J].
GELB, A ;
CARDILLO, M .
SURFACE SCIENCE, 1976, 59 (01) :128-140
[8]  
GRUNEICH A, 1993, J CHEM PHYS, V98, P5800, DOI 10.1063/1.464873
[9]   ON THE DYNAMICS OF THE ASSOCIATIVE DESORPTION OF H-2 [J].
HARRIS, J ;
HOLLOWAY, S ;
RAHMAN, TS ;
YANG, K .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (07) :4427-4439
[10]   THE EFFECT OF REAGENT ROTATION ON CHEMICAL-REACTIVITY - F + H-2 REVISITED [J].
HARRISON, JA ;
ISAKSON, LJ ;
MAYNE, HR .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (11) :6906-6918