碳纳米管吸附二噁英的量子化学理论研究.pdf

- I - 90 2001 R.Q.Long [1]JACS TPD(temperature-programmed desorption) R.Q.Long PA PB TA TB , PBE DZP PB -14.66kcal/mol3 3.46Å (ΔEInt) 35.85 (ΔEInt) 64.15 ETS —— - 1 - ABSTRACT With the increasing awareness of environmental protection, polychlorinated dibenzo-p-dioxins [PCDD], as a extremely severe organic pollutant, has attracted wide attention. PCDD can be generated anywhere, from industrial production to daily events, which causes considerable damages to environment by its long-lasting and highly-toxic effects. How to decrease the generation of PCDD and to absorb it effectively have become the hot spot of scientific research, in order to lower the pollution level to the fullest extent possible. Carbon nanotubes are widely used in many fields because of their own structural characteristics since they were found in 90s. With such a wide range of usages, can this new type of material be used in adsorbing PCDD? R.Q.Long and his coll