摘要
本文应用Einstein和Schrieffer的化学吸附理论和复平面能量积分技术研究了紧束缚近似下原子(或分子)吸附在双过渡金属(纯净的和含杂的)上的化学吸附特征。对杂质,本文用了Koster和slater模型。数值运算例子通过对CO分别吸附在Ni/Cu、Cu/Ni、Cu/Ni(C_0)和Cu/Ni(Cu)上而给出。
The chemisorption energy of an atom(or molecule)on metal/(pure and contaminated)metal composite substrateis investigated by using the Einstein and Schrieffer schemisorption theory and the complex--plane--energy integra-tion approach. The tight--binding approximation is employed to model the bimetallic catalysts by an one dimensionalchain of d--orbitals and the impurity is described by the Koster--slater model. Specfic calculation is performed forthe CO--Ni/Cu, CO--Cu/Ni, CO--CU/Ni(CO) and CO--cu/Ni(Cu) systems.
出处
《河南师范大学学报（自然科学版）》
CAS
CSCD
1990年第3期24-28,共5页
Journal of Henan Normal University(Natural Science Edition)
关键词
双金属催化剂
化学吸附能
催化剂
bimetallic catalyst
chemisorption energy
complex-plane energy integration
