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.

• 采用平面波赝势方法；利用基于从头计算的软件包；对乙烯和乙炔基在Ni(110)表面上吸附的问题进行了计算.