摘要
用非绝热近似含时薛定格方程对Ｏ２在Ａｇ（１１０）表面上的吸附进行了计算．计算结果表明：较低温度时，主要呈现氧的分子态吸附，氧处于电荷转移状态Ｏ２－；较高温度时，主要呈现氧的原子态吸附，吸附过程可能经历电荷转移状态Ｏ２－；氧分子的振动激发，有利于分子态吸附，但对原子态吸附无影响．
he oxygen adsorption on Ag (110) surface has been studied by calculation with time-dependent Schroedinger equation under non-adiabatic approximation. The calctlation results show that the adsorption is mainly presented as molecular state adsorption at lower temperature, oxygen is at a charge-tranfered state O2-: whereas is mainly atomic state adsorption at higher temperature, the adsorption route may he through a charge transfered state O2-; the vibration excitation of oxygen is favorite for molecular state adsorption but has no influence for atomic state adsorption.
出处
《复旦学报（自然科学版）》
CAS
CSCD
北大核心
1996年第3期241-252,共12页
Journal of Fudan University：Natural Science
基金
国家自然科学基金
