journal article·2026-05

Mechanistic insights into O2 activation-assisted As2O3 removal on transition-metal doped Fe2O3: A DFT study

Yiming Han, Xiangru Kong, Kuaile Liu, Daren Long, Weiwei Fan

Materials Letters· Volume 411
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Advanced oxidation water treatment · Environmental remediation with nanomaterials · Catalytic Processes in Materials Science

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (13)

Show source-provided references
1. The future challenges for “clean coal technologies”: joining efficiency increase and pollutant emission control10.1016/j.energy.2008.09.012 ↗
2. Release behaviors of arsenic in fine particles generated from a typical high-arsenic coal at a high temperature10.1021/acs.energyfuels.6b00279 ↗
3. Exposure surface active sites of perovskite-type LaFeO3 gas sensors by selectively dissolving La cations for enhancing gas sensing properties to acetone
4. Insight of arsenic transformation behavior during high-arsenic coal combustion10.1016/j.proci.2018.07.064 ↗
5. Experimental and mechanism study of gas-phase arsenic adsorption over Fe2O3/γ-Al2O3 sorbent in oxy-fuel combustion flue gas10.1021/acs.iecr.6b02056 ↗
6. Fe termination for α-Fe2O3 (0001) as grown by oxygen-plasma-assisted molecular beam epitaxy10.1016/S0039-6028(99)00766-9 ↗
7. Density functional theory study on hg removal mechanisms of cu-impregnated activated carbon prepared by simplified method10.1007/s11814-016-0153-z ↗
8. J. Comput. Chem. · 2008 · 29 · 204410.1002/jcc.21057 ↗
9. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
10. Mechanistic insight into the synergistic effect of O2 and SO2 for improving removal of arsenic over Mn-modified Fe2O3-based sorbent10.1016/j.susc.2024.122614 ↗
11. Formation enthalpies by mixing GGA and GGA+U calculations10.1103/PhysRevB.84.045115 ↗
12. First-principles calculation of the structure and magnetic phases of hematite10.1103/PhysRevB.69.165107 ↗
13. Oxidation energies of transition metal oxides within the GGA+U framework10.1103/PhysRevB.73.195107 ↗