摘要
本文应用紧束缚模型和单电子理论研究了几种小分子在Pd(100)面上的共吸附特性,结果表明:在Pd(100)面上两个吸附分子(或吸附原子)间的间接相互作用随吸附质与衬底之间的耦合强度的减小呈现振荡性衰减的趋势,并且,当O_2或H_2存在时,NO在Pd(100)面上的解离将受到影响,此外,根据两吸附质之间的间接相互作用,推断出一些吸附层结构,这些结果与实验结果作了比较。
The coadsorptive properties of some small molecules adsorbed on Pd(100) surface are investigated by taking the tight-binding model and the one electron approximation. The results show that (1) the indirect interaction between the two admolecules (or adatoms) on Pd (100) surface has an oscillatory behaviour with the decrease of the coupling strength between these adsorbates and the substrate, and (2) the existence of O2 or H2 affects the dissociation of NO on Pd(100). In addition, some adsorptive structures are derived from adsorbate-ad-sorbate indirect interactions. These results are compared with experimental results.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1990年第12期1952-1958,共7页
Acta Physica Sinica
