Density functional theory calculations within the generalized gradient approximation (GGA) have been carried out to stud......

Adsorption behaviors of 2-bromothiophene on the Rh(111) surface were discussed with DFT.The results revealed that adsorp......

NOx是产生酸雨、光化学烟雾及臭氧层空洞的主要原因之一, 对生态环境、工农业生产和人体健康均有巨大危害[1]. 去除汽车尾气排放的......