催化作用
溶解
分解
锰
吸附
结晶度
氧气
密度泛函理论
臭氧
无机化学
化学
材料科学
物理化学
计算化学
结晶学
有机化学
作者
Wei Hong,Mingpan Shao,Xiang Li,Haining Wang,Ye Sun,Fangxia Shen,Xiang Li
标识
DOI:10.1016/j.apcatb.2020.119088
摘要
ε-MnO2 catalysts with Mn vacancies and appropriate Li+ were designed with the help of density functional theory calculations (DFT) and prepared by a novel selective dissolution strategy. Their physiochemical properties were characterized and catalytic activity for ozone decomposition evaluated. DFT calculations showed that Mn vacancies and appropriate amounts of Li+ in ε-MnO2 facilitated the formation of oxygen vacancies, decreased adsorption ability for H2O and O2, and maintained high adsorption ability for O3 on these oxygen vacancies. Characterization results showed that preparing ε-MnO2 by selective dissolution of Mn-Li precursors with 0.5 M HCl produced more Mn vacancies, and, thus, weaker crystallinity, larger specific surface area, superior reducibility, better oxygen storage capacity, and higher oxygen vacancies. This catalyst exhibited excellent activity and stability for ozone decomposition. Furthermore, a possible mechanism for ozone decomposition by the synergy of Li+, Mn vacancies, and oxygen vacancies in ε-MnO2 was proposed.
科研通智能强力驱动
Strongly Powered by AbleSci AI