%0 Dataset
%T Selective oxidation dataset of organic micro pollutants by potential difference driven defect carbon nanotube electron transfer (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 technique for removing organic micro pollutants. However, the properties and working mechanisms 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 have revealed that double vacancy defects on carbon nanotubes may be the intrinsic active sites of carbon nanotubes. As a conductive bridge, it promotes the transfer of electrons dominated by potential differences from the highest occupied molecular orbital (HOMO) of OMPs to the lowest unoccupied molecular orbital (LUMO) of PMS molecules. Based on this unique mechanism, the CNTs@PMS The oxidation system exhibits outstanding selectivity in complex water environments, achieving targeted elimination of specific OMPs. This study reveals the mechanism of carbon catalyzed selective oxidation, providing an innovative technology for the remediation of actual wastewater.