纳米碳基过硫酸盐氧化技术是一种很有前景的有机微污染物去除技术。然而，活性位点的性质及其工作机制仍然难以捉摸，这阻碍了高性能氧化技术在水处理实践中的发展。在这里，我们报道了缺陷丰富的碳纳米管(CNTs)在过氧单硫酸盐(PMS)氧化OMPs时表现出优越的活性。定量的构效关系研究和理论计算揭示了碳纳米管上的双空位缺陷可能是碳纳米管的本征活性位点，它作为一个导电桥，促进了位差主导的电子从OMPs的最高占据分子轨道(HOMO)向最低未占据分子轨道的转移PMS分子轨道(LUMO)。基于这一独特的机理，所建立的CNTs@PMS氧化体系在复杂的水环境中具有突出的选择性，实现了特定OMPs的靶向消除。本研究揭示了碳催化选择性氧化的机理，为实际废水的修复提供了一种创新技术。", "ds_source": "
室内实验、仪器表征，自主产生。", "ds_process_way": "
采用XRD、XPS、Raman系统软件模块进行表征。采用Nova Nano SEM450对样品的微观形貌进行了表征。FEI Tabs F200X分别在120和80 kV的加速电压下获得透射电子显微镜(TEM)图像。高分辨率图像由像差校正TEM获得。BET表面积测量是在Micromeritics公司的Tristar II仪器上进行的。广角XRD谱图由Bruker D8 ADVANCE-ray衍射仪获得。采用Horiba Jobin-Yvon LabRAM HR800微共焦拉曼光谱仪在532.14 nm处进行Raman光谱分析。x射线光电子能谱测量使用AXIS Ultra DLD x射线光电子能谱仪进行Al Kα x射线(hν = 1486.6 eV)辐射。ESR谱(力量A200光谱仪、德国)被用来研究活性自由基的生成在室温下下列条件:微波功率= 18.7 mW,微波频率= 9.766 GHz,中心字段= 3480 G,调制宽度= 0.1吨,调制频率= 100 kHz和扫描数量= 3。", "ds_quality": "
数据质量良好。", "ds_acq_start_time": "2018-12-01 00:00:00", "ds_acq_end_time": "2018-12-31 00:00:00", "ds_acq_place": "江西省南昌市", "ds_acq_lon_east": 115.45, "ds_acq_lat_south": 28.116666666666667, "ds_acq_lon_west": 116.53333333333333, "ds_acq_lat_north": 29.166666666666668, "ds_acq_alt_low": null, "ds_acq_alt_high": null, "ds_share_type": "login-access", "ds_total_size": 788250, "ds_files_count": 2, "ds_format": "excel", "ds_space_res": "", "ds_time_res": "日", "ds_coordinate": "无", "ds_projection": "", "ds_thumbnail": "964a76cb-875a-45c2-a469-1c3d7165185e.png", "ds_thumb_from": 0, "ds_ref_way": "", "paper_ref_way": "", "ds_ref_instruction": "使用申明：“电位差驱动缺陷碳纳米管电子转移对有机微污染物的选择性氧化数据集（2018年12月）”来源于国家重点研发计划《大型煤矿和有色矿矿井高效利用技术与示范》（项目编号：2018YFC0406400）。", "ds_from_station": null, "organization_id": "4f9aad20-0a6f-4efd-9b8b-70cd10164ea3", "ds_serv_man": "敏玉芳", "ds_serv_phone": "0931-4967596", "ds_serv_mail": "ncdc@lzb.ac.cn", "doi_value": "10.12072/ncdc.UTCMW.db2155.2022", "subject_codes": [ "170.50" ], "quality_level": 3, "publish_time": "2022-05-31 08:46:35", "last_updated": "2026-01-12 11:27:56", "protected": false, "protected_to": null, "lang": "zh", "cstr": "11738.11.ncdc.UTCMW.db2155.2022", "i18n": { "en": { "title": "Selective oxidation dataset of organic micro pollutants by potential difference driven defect carbon nanotube electron transfer (December 2018)", "ds_format": "Excel", "ds_source": "
Indoor experiments, instrument characterization, independently generated.", "ds_quality": "
The data quality is good.", "ds_ref_way": "", "ds_abstract": "
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.
", "ds_time_res": "日", "ds_acq_place": "Nanchang City, Jiangxi Province", "ds_space_res": "", "ds_projection": "", "ds_process_way": "Characterization was performed using XRD, XPS, and Raman system software modules. The microstructure of the sample was characterized using Nova Nano SEM450. FEI Tabs F200X obtained transmission electron microscopy (TEM) images at acceleration voltages of 120 and 80 kV, respectively. High resolution images are obtained by aberration corrected TEM. The BET surface area measurement was performed on Micromeritics' Tristar II instrument. The wide-angle XRD spectrum was obtained using a Bruker D8 ADVANCE ray diffractometer. Raman spectroscopy analysis was performed at 532.14 nm using Horiba Jobin Yvon LabRAM HR800 micro confocal Raman spectrometer. X-ray photoelectron spectroscopy measurement was performed using AXIS Ultra DLD X-ray photoelectron spectrometer for Al K α X-ray (h ν=1486.6 eV) radiation. The ESR spectrum (Power A200 Spectrometer, Germany) was used to study the generation of active free radicals at room temperature under the following conditions: microwave power=18.7 mW, microwave frequency=9.766 GHz, central field=3480 G, modulation width=0.1 ton, modulation frequency=100 kHz, and scanning number=3.", "ds_ref_instruction": "The use statement: \"data set of selective oxidation of organic micro pollutants by potential difference driven electron transfer of defective carbon nanotubes (December 2018)\" comes from the national key R & D plan \"high efficiency utilization technology and demonstration of large coal mines and nonferrous mines\" (Project No.: 2018yfc0406400)." } }, "submit_center_id": "ncdc", "data_level": 0, "license_type": "CC BY 4.0", "doi_reg_from": "reg_local", "cstr_reg_from": "reg_local", "doi_not_reg_reason": null, "cstr_not_reg_reason": null, "is_paper_in_submitting": false, "ds_topic_tags": [ "缺陷态碳纳米管", "过硫酸盐", "碳催化" ], "ds_subject_tags": [ "地质学" ], "ds_class_tags": [], "ds_locus_tags": [ "江西省南昌市" ], "ds_time_tags": [ 2018 ], "ds_contributors": [ { "true_name": "杨利明", "email": "yangliming0809185@126.com", "work_for": "南昌航空大学", "country": "中国" } ], "ds_meta_authors": [ { "true_name": "杨利明", "email": "yangliming0809185@126.com", "work_for": "南昌航空大学", "country": "中国" } ], "ds_managers": [ { "true_name": "敏玉芳", "email": "myf@lzb.ac.cn", "work_for": "中国科学院西北生态环境资源研究院", "country": "中国" } ], "category": "其他" }