ADSORPTION OF H2O (MOLECULAR AND DISSOCIATIVE) ON SI(100) AND SI(111) SURFACES CONSIDERED BY AN EMPIRICAL PAIR POTENTIAL METHOD

被引：10
作者：
ENGLER, C
机构：
[1] Sektion Chemie, Karl-Marx-Universität, Leipzig
来源：
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1990年 / 159卷 / 02期
关键词：
D O I：
10.1002/pssb.2221590219
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The adsorption of H2O on Si(100) and Si(111) surfaces is examined by an empirical method, which connects pair potential considerations with the BEBO‐concept. For both surfaces, only small energetic differences between molecular SiH2O and dissociative SiH and SiOH species are obtained, which lie within the margin of error of the method. For the dissociation process of adsorbed H2O‐molecules on Si(100)−(2 × 1), the course of the total energy along a possible reaction path is discussed. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA
引用
收藏
页码：721 / 730
页数：10
相关论文
共 34 条
[1]   EMPIRICAL CHEMICAL PSEUDOPOTENTIAL THEORY OF MOLECULAR AND METALLIC BONDING [J].
ABELL, GC .
PHYSICAL REVIEW B, 1985, 31 (10) :6184-6196
[2]  
[Anonymous], 1966, GAS PHASE REACTION R
[3]   INTERATOMIC POTENTIALS FOR SILICON STRUCTURAL ENERGIES [J].
BISWAS, R ;
HAMANN, DR .
PHYSICAL REVIEW LETTERS, 1985, 55 (19) :2001-2004
[4]   THE VIBRATIONAL-SPECTRUM OF H2O ON SI(100) [J].
BLACK, JE ;
BOPP, P ;
WOLFSBERG, M .
SURFACE SCIENCE, 1983, 134 (01) :257-271
[5]   HYDRIDE FORMATION ON THE SI(100)-H2O SURFACE [J].
CHABAL, YJ .
PHYSICAL REVIEW B, 1984, 29 (06) :3677-3680
[6]   EVIDENCE OF DISSOCIATION OF WATER ON THE SI(100)2X1 SURFACE [J].
CHABAL, YJ ;
CHRISTMAN, SB .
PHYSICAL REVIEW B, 1984, 29 (12) :6974-6976
[7]   ATOMIC AND ELECTRONIC-STRUCTURES OF RECONSTRUCTED SI(100) SURFACES [J].
CHADI, DJ .
PHYSICAL REVIEW LETTERS, 1979, 43 (01) :43-47
[8]   DISSOCIATION OF WATER-MOLECULES ON SI SURFACES [J].
CIRACI, S ;
WAGNER, H .
PHYSICAL REVIEW B, 1983, 27 (08) :5180-5183
[9]  
CIRACI S, 1982, SOLID STATE COMMUN, V45, P457
[10]   POTENTIAL SURFACES FOR CHEMISORPTION ON SEMICONDUCTOR SURFACES FROM PAIR POTENTIAL CONSIDERATIONS [J].
ENGLER, C .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1989, 151 (02) :555-563
1234