- The favourite adsorption site of ethylene on the Ni (110) surface at high and low coverages was investigated by theoretical calculation.
用理论计算的方法研究了不同覆盖度的乙烯在Ni(110 )表面吸附的位置 .
- The adsorption site strength of ammonia, oxygen and propylene in the fresh catalyst is weaker,and the adsorption site density is greater, so its catalytic activity is better.
- The doping behavior (adsorption behavior) of lithium cation (Li++) on the surface of polyacene semiconductor was investigated by using quantum chemistry MNDO, CNDO/2 methods. The stable adsorption site of Li++ over benzene ring was found.
- The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated . The results show that there are two active adsorption site on the model zeolite.
- The favorite adsorption sites of ethylene (C_2H_4) and acetylide (CCH) on the Ni(110) surface are investigated by the theoretical calculation of the pseudo_potential plane_wave method.