ADSORPTION OF ACETALDEHYDE ON PT(100), (110) AND (111) FACES - A SEMIEMPIRICAL QUANTUM CHEMICAL STUDY

被引：6

作者：

PEREZ, JM

CASES, FJ

VAZQUEZ, JL

ALDAZ, A

机构：

[1] Department of Physical Chemistry, University of Alicante, Alicante

来源：

SURFACE SCIENCE | 1990年 / 235卷 / 2-3期

关键词：

D O I：

10.1016/0039-6028(90)90806-J

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：

The adsorption of acetaldehyde on three Pt faces (100), (110) and (111) has been investigated using the semi-empirical quantum chemical EHMO method and 3-layer thick clusters consisting of 28 Pt atoms. The modes of chemisorption interactions are studied for a variety of configurations on the platinum faces. Charge transfer from the MO's of adsorbates to the surface is important in the initial steps for C-H bond breaking. The role of the 6s,p-like orbitals in Pt-H bond formation is pointed out. © 1990.

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页码：307 / 316

页数：10

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