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J Hazard Mater

Title:		Surface oxygen vacancy-dependent molecular oxygen activation for propane combustion over alpha-MnO(2)
Author(s):		Gu H; Lan J; Hu H; Jia F; Ai Z; Zhang L; Liu X;
Address:		"Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China. Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China; School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China. Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China. Electronic address: liuxiao71@ccnu.edu.cn"
Journal Title:		J Hazard Mater
Year:		2023
Volume:		20230906
Issue:
Page Number:		132499 -
DOI:		10.1016/j.jhazmat.2023.132499
ISSN/ISBN:		1873-3336 (Electronic) 0304-3894 (Linking)
Abstract:		"Oxygen vacancies (O(V)), as the sites of molecular oxygen adsorption and activation, play an important role in the catalytic combustion process of volatile organic compounds (VOCs). Revealing the relationship between O(V) concentration and molecular oxygen activation behavior is of significance to construct the efficient catalysts. Herein, alpha-MnO(2) with different O(V) concentrations was prepared to investigate the molecular oxygen activation for C(3)H(8) combustion. It is disclosed that the enhanced O(V) concentration in alpha-MnO(2) induced the reconfiguration of surface metal atoms, resulting in the transformation of oxygen activation configuration from end-on mode to side-on mode. Oxygen molecules in side-on mode possessed more localized electron density and weaker coordination bond strength with surrounding Mn atoms, which were more favorable to adsorb C(3)H(8) molecules and activate C-H bond for the improved combustion performance. This work provides a new understanding to reveal that the increased O(V) concentration contributes to more efficient VOCs combustion"
Keywords:		Adsorption configuration Molecular oxygen activation Oxygen vacancy Propane combustion alpha-MnO(2);
Notes:		"PubMed-not-MEDLINEGu, Huayu Lan, Jintong Hu, Haolu Jia, Falong Ai, Zhihui Zhang, Lizhi Liu, Xiao eng Netherlands 2023/09/08 J Hazard Mater. 2023 Oct 15; 460:132499. doi: 10.1016/j.jhazmat.2023.132499. Epub 2023 Sep 6"