使用量子化学中的密度泛函理论和平板周期模型方法,研究了苯在Cu(100)面上的吸附方式和相对稳定性.计算结果表明,苯在Cu(100)表面......

The HCNH and CNH2 adsorption on different coordination sites of Cu(100) was theoretically studied considering the cluste......