%0 Dataset
%T Data set on selective oxidation of organic micro pollutants by potential difference driven electron transfer of defective carbon nanotubes (December 2018)
%J National Cryosphere Desert Data Center
%I National Cryosphere Desert Data Center(www.ncdc.ac.cn)
%U http://www.ncdc.ac.cn/portal/metadata/964a76cb-875a-45c2-a469-1c3d7165185e
%W NCDC
%R 10.12072/ncdc.UTCMW.db2155.2022
%A Yang Liming
%K Defective carbon nanotubes;persulfate;carbon catalysis
%X Nano carbon based persulfate oxidation technology is a promising technology for the removal of organic micro pollutants. However, the nature and working mechanism of active sites are still elusive, which hinders the development of high-performance oxidation technology in water treatment practice. Here, we report that defect rich carbon nanotubes (CNTs) exhibit superior activity in the oxidation of OMPs by peroxymonosulfate (PMS). Quantitative structure-activity relationship studies and theoretical calculations reveal that the double vacancy defect on carbon nanotubes may be the intrinsic active site of carbon nanotubes. As a conductive bridge, it promotes the transfer of electrons dominated by potential difference from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO) of OMPs. Based on this unique mechanism, the CNTs@PMS The oxidation system has outstanding selectivity in complex water environment and realizes the targeted elimination of specific OMPs. This study reveals the mechanism of carbon catalytic selective oxidation and provides an innovative technology for the remediation of practical wastewater.