The promoting mechanism of doping Mn, Co, and Ce on gas adsorption property and anti-SO2 oxidation over γ-Fe2O3 (001) surface: A density functional theory study

The Promise of Metal-Doped Iron Oxide Nanoparticles as Antimicrobial Agent

“…As illustrated in Figure b–d, the electron density of the γ-Fe 2 O 3 (001) lattice with these TMIs reveals doped atoms with a substantial molecular interaction among the doped metal ions and the γ-Fe 2 O 3 lattice. From the comparison of the outermost orbits of free these TMIs with the same atoms on the doped γ-Fe 2 O 3 composite’s surface, it was found that doped Fe(II), Mn(II), Co(II), and Ce(IV) atoms have more hybridized d -orbitals than free atoms . After doping, there is apparent hybridization in both the d and f orbitals of the Ce atom, suggesting that there is a strong electrostatic interactions between both orbitals with the surroundings of O atom, as established by Jarlborg et al (2014) …”

“…As a result, an individual Fe atom had to be replaced by a TMIS such as Ce­(IV), Co­(II), and Mn­(II). After optimization, the corresponding distance (bond length) between M and O atoms is 2.198, 1.889, and 1.962 for Ce, Co, and Mn, respectively, while this was 1.9777 for Fe–O (before doping) . This is mainly due to the different ionic radii of this metal.…”

“…After optimization, the corresponding distance (bond length) between M and O atoms is 2.198, 1.889, and 1.962 for Ce, Co, and Mn, respectively, while this was 1.9777 for Fe−O (before doping). 76 This is mainly due to the different ionic radii of this metal. The Bader charge calculation was employed The nanoparticles adhere to the plasma membrane, disrupting it and ensuring that the ROS penetrates simultaneously to the lipids.…”

“…Additionally, the use of transition metals�especially chro-mium�can have a negative impact on the topology and the replication and transcription of bacteria. 76 performed a comprehensive study to compare the Z val value for various TMIs doped with iron oxide nanoparticles, where all metal ions have demonstrated a positive Z val value though losing electrons. For the Fe(II), Ce(IV), Co(II), and Mn(II) atoms, the values were 8.0, 12.0, 9.0, and 7.0, respectively, which indicates that these metals lost their electrons during the doping process.…”

Unraveling the SO2 Poisoning Effect over the Lifetime of MeOx (Me = Ce, Fe, Mn) Catalysts in Low-Temperature NH3-SCR: Interaction of Reaction Atmosphere with Surface Species

“…However, Yu et al claimed Ce served as a sacrificial agent, giving priority to be sulfated and thus retaining the Mn active sites. Also, Xie et al found that Ce-doped γ-Fe 2 O 3 had an excellent anti-SO 2 oxidation performance, which restrained the formation of sulfates. These phenomena seemed to indicate that simplifying catalyst components or comparative studies based on controlled variables were the inevitable approaches to exploring the mechanism of SO 2 tolerance.…”