School;
of;
Chemistry;
and;
Chemical;
Engineering;
School;
of;
Environmental;
Science;
and;
Engineering,;
Shandong;
University,;
Jinan;
250100,;
P.;
R.;
China;
School;
of;
Chemistry;
and;
Chemical;
Engineering,;
University;
of;
Jinan,;
Jinan;
250022,;
P.;
R.;
China;
铜离子吸附; 半导体表面; 水合; Si(111)表面; 硅层; B3LYP方法; 周期性边界条件; 强相互作用;