CO和O在无序二元合金AgPd上的吸附

CHEMISORPTION OF CO AND O ON AgPd ALLOY SURFACE

本文用一维紧束缚模型和单电子化学吸附理论.在平均 T 矩阵近似下,研究了CO 和 O 在 AgPd 合金上的化学吸附特性.结果表明:(1) 在 Pd 的浓度低于85%的范围内,O在 AgPd 合金上的吸附随 Pd 的浓度的增加而加强;在 AgPd 浓度比率为15:85时吸附最强;Pd 的浓度高于85%时,随 Pd 浓度的增加。O 在 AgPd 合金上的吸附略呈减弱趋势.(2) CO在 AgPd 合金上的吸附随 Pd 浓度的增加而增强.

The chemisorption of CO and O on disordered AgPd alloy is studied by using the average T-matrix approximation and the one-electron chemisorption theory.The chemisorptoin energy is calculatied as the function of bulk Pd concentration.The results are as follows:(1) for the system of O/Agpd at law Pd concentration range,the more the Pd atoms contained in the AgPd alloy,the stronger the chemisorption is; at about 15:85 Ag/Pd concentration ratio,the chemisorption is the strangest.(2) for the system of CO/AgPd,the more the Pd atoms contained in the AgPd alloy,the stronger the chemisorption is.