摘要：To prevent SOx emission and produce low-sulfur diesel oil, we develop a 3D assembly TiO(2 )nanoflower catalyst with controllable oxygen vacancies for oxidative desulfurization (ODS) in diesel oil. The roles of oxygen vacancy (OV) and associated Ti(3+ )in TiO2 are fully discussed: the increased OV and Ti3+ are beneficial for the promoted chemical adsorption of peroxy groups, from -0.5 eV to -1.26 eV; also facile to the reduction of the energy barriers of O-O and O-H bonds cleavage, respectively by 1.38 eV and 1.24 eV, thus greatly boosting the generation of hydroxyl radicals.OH and superoxide radicals.O-2(-). Besides, the ODS reaction undergoes two possible pathways, the mechanism and the kinetics are investigated. Above all, the 100% ODS rate can be obtained in only 30 min under optimal conditions, showing a promising perspective of oxygen vacancy engineering for converting hazardous sulfides into high-value chemicals.

关键字：Oxidative desulfurization; Oxygen vacancy; Ti3+; 3D assembly; Oxygen radicals

ISSN号：0304-3894

卷、期、页：卷: 440

发表日期：2022-10-15

影响因子：10.588000

期刊分区（SCI为中科院分区）：一区

收录情况：SCIE（科学引文索引网络版）,EI（工程索引）

发表期刊名称：JOURNAL OF HAZARDOUS MATERIALS

参与作者：Yu, Zhendong,Xun, Suhang,Chen, Haofeng,Rahmani, Mohammad,Ding, Yuxiao,Hua, Mingqing

通讯作者：Jing, Meizan

第一作者：宋卫余,巢艳红,刘坚,朱文帅

论文类型：期刊论文

论文概要：Yu, Zhendong,Xun, Suhang,Jing, Meizan,Chen, Haofeng,宋卫余,巢艳红,Rahmani, Mohammad,Ding, Yuxiao,Hua, Mingqing,刘坚,朱文帅，Construction of 3D TiO(2 )nanoflower for deep catalytic oxidative desulfurization in diesel: Role of oxygen vacancy and Ti3+，JOURNAL OF HAZARDOUS MATERIALS，2022，卷: 440

论文题目：Construction of 3D TiO(2 )nanoflower for deep catalytic oxidative desulfurization in diesel: Role of oxygen vacancy and Ti3+